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

C14H11N5O — CID 3613559

IUPAC(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)c1ccccc1
InChIInChI=1S/C14H11N5O/c15-14-17-12(11-7-4-8-16-9-11)18-19(14)13(20)10-5-2-1-3-6-10/h1-9H,(H2,15,17,18)
InChIKeyOTIFHPVRAWSQPU-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.61
Rot. Bonds2

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

(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone (PubChem CID 3613559) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone
PubChem CID3613559
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)c1ccccc1
InChIInChI=1S/C14H11N5O/c15-14-17-12(11-7-4-8-16-9-11)18-19(14)13(20)10-5-2-1-3-6-10/h1-9H,(H2,15,17,18)
InChIKeyOTIFHPVRAWSQPU-UHFFFAOYSA-N
XLogP1.61
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide
CID 155534057
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
3-Chloro-5-[1-(3-Methylpyridin-2-Yl)-3-Phenyl-1h-1,2,4-Triazol-5-Yl]pyridin-2(1h)-One
CID 135566877
N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 707946
4-methyl-N'-[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 1132990
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
1-Phenyl-2-(5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 648322
N'-[2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 1455166

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone?
The IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone (CID 3613559) is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone.
What is the SMILES notation for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone?
The canonical SMILES for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone is Nc1nc(-c2cccnc2)nn1C(=O)c1ccccc1.
What is the InChIKey of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone?
The InChIKey is OTIFHPVRAWSQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-14-17-12(11-7-4-8-16-9-11)18-19(14)13(20)10-5-2-1-3-6-10/h1-9H,(H2,15,17,18).
What are the key properties of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone?
(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone has a molecular weight of 265.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone is sourced from PubChem (CID 3613559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).