3-(2-methoxyphenyl)-1,2,4-triazol-4-amine

C9H10N4O — CID 54284537

IUPAC3-(2-methoxyphenyl)-1,2,4-triazol-4-amine
SMILESCOc1ccccc1-c1nncn1N
InChIInChI=1S/C9H10N4O/c1-14-8-5-3-2-4-7(8)9-12-11-6-13(9)10/h2-6H,10H2,1H3
InChIKeyYMWIXBVRXVEMGX-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.67
Rot. Bonds2

About 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine

3-(2-methoxyphenyl)-1,2,4-triazol-4-amine (PubChem CID 54284537) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1,2,4-triazol-4-amine
PubChem CID54284537
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-(2-methoxyphenyl)-1,2,4-triazol-4-amine
SMILESCOc1ccccc1-c1nncn1N
InChIInChI=1S/C9H10N4O/c1-14-8-5-3-2-4-7(8)9-12-11-6-13(9)10/h2-6H,10H2,1H3
InChIKeyYMWIXBVRXVEMGX-UHFFFAOYSA-N
XLogP0.67
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126
3-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061336
6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327050
3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
CID 113301247
3-(2-methoxyethylsulfanyl)-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 27909736
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
5-chloro-2-(2-methoxyphenyl)-1-methylimidazole
CID 117259261
5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366285
3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
CID 94771493
3-(2-methoxyphenyl)-5-(1-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 60586238

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine (CID 54284537) is 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine is COc1ccccc1-c1nncn1N.
What is the InChIKey of 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine?
The InChIKey is YMWIXBVRXVEMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-8-5-3-2-4-7(8)9-12-11-6-13(9)10/h2-6H,10H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine?
3-(2-methoxyphenyl)-1,2,4-triazol-4-amine has a molecular weight of 190.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 54284537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).