1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone

C15H13N5O — CID 971620

IUPAC1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)Cc1ccccc1
InChIInChI=1S/C15H13N5O/c16-15-18-14(12-7-4-8-17-10-12)19-20(15)13(21)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,16,18,19)
InChIKeyUQFXNLGTCOBRMQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.81
Rot. Bonds3

About 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone

1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone (PubChem CID 971620) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone
PubChem CID971620
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)Cc1ccccc1
InChIInChI=1S/C15H13N5O/c16-15-18-14(12-7-4-8-17-10-12)19-20(15)13(21)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,16,18,19)
InChIKeyUQFXNLGTCOBRMQ-UHFFFAOYSA-N
XLogP1.81
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone 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

3-Phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-5-one
CID 14050877
(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone
CID 970375
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 3922884
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 3934876
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
1-(5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one
CID 3476108
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
CID 3613559
1-[5-(Benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 4686951
2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
CID 10114711
2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone (CID 971620) is 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone is Nc1nc(-c2cccnc2)nn1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone?
The InChIKey is UQFXNLGTCOBRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-15-18-14(12-7-4-8-17-10-12)19-20(15)13(21)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,16,18,19).
What are the key properties of 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone?
1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone has a molecular weight of 279.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone is sourced from PubChem (CID 971620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).