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

C15H13N5O — CID 162664502

IUPAC(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2nc(-c3ccccn3)nc2N)c1
InChIInChI=1S/C15H13N5O/c1-10-5-4-6-11(9-10)14(21)20-15(16)18-13(19-20)12-7-2-3-8-17-12/h2-9H,1H3,(H2,16,18,19)
InChIKeyLGYDKGKNEZTQLV-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.92
Rot. Bonds2

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

(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone (PubChem CID 162664502) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone
PubChem CID162664502
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2nc(-c3ccccn3)nc2N)c1
InChIInChI=1S/C15H13N5O/c1-10-5-4-6-11(9-10)14(21)20-15(16)18-13(19-20)12-7-2-3-8-17-12/h2-9H,1H3,(H2,16,18,19)
InChIKeyLGYDKGKNEZTQLV-UHFFFAOYSA-N
XLogP1.92
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Imidazopyridazin 1
CID 5459373
4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]benzamide
CID 126480574
1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 707946
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
[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
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 24959046
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)-N-methylbenzamide
CID 24959409
3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide
CID 25129024

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone (CID 162664502) is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)n2nc(-c3ccccn3)nc2N)c1.
What is the InChIKey of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone?
The InChIKey is LGYDKGKNEZTQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-5-4-6-11(9-10)14(21)20-15(16)18-13(19-20)12-7-2-3-8-17-12/h2-9H,1H3,(H2,16,18,19).
What are the key properties of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone?
(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone has a molecular weight of 279.30 g/mol, XLogP of 1.92, 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-2-yl-1,2,4-triazol-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 162664502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).