1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline

2.1.2 InChI

InChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2/h3-6H,11H2,1-2H3

2.1.3 InChI Key

FIAZRZSVFOMYSD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C=NC(=N1)C2=C(C(=CC=C2)N)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1609394-10-6

2. 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline

3. Mfcd30489435

4. Benzenamine, 2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)-

5. Schembl15690539

6. Tqr1149

7. Zinc150057141

8. At10631

9. As-80499

10. Sy253865

11. Cs-0120604

12. En300-1697551

13. A901284

14. A1-44851

2.3 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂N₄O
Molecular Weight	204.23 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66
Heavy Atom Count	15
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

1609394-10-6