(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone

C10H10N4O2 — CID 2938648

IUPAC(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2cnnc2N)cc1
InChIInChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)
InChIKeyGEWIUKZEFCKWDD-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.56
Rot. Bonds2

About (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone

(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone (PubChem CID 2938648) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone
PubChem CID2938648
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2cnnc2N)cc1
InChIInChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)
InChIKeyGEWIUKZEFCKWDD-UHFFFAOYSA-N
XLogP0.56
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
4-isobutoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993321
4-butoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 660181
3-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814685
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
4-ethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 590988
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
(3-Amino-[1,2,4]triazol-4-yl)-(4-ethoxy-phenyl)-methanone
CID 891558
(3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 936917
4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 938458
4-(2,3-dimethoxybenzoyl)-4H-1,2,4-triazol-3-amine
CID 2226284
N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide
CID 2931606

Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone (CID 2938648) is (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2cnnc2N)cc1.
What is the InChIKey of (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone?
The InChIKey is GEWIUKZEFCKWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13).
What are the key properties of (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone?
(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone has a molecular weight of 218.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2938648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).