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

C14H10ClN5O — CID 970713

IUPAC(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H10ClN5O/c15-11-6-2-1-5-10(11)13(21)20-14(16)18-12(19-20)9-4-3-7-17-8-9/h1-8H,(H2,16,18,19)
InChIKeyUHIWVKZCJPLNNG-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.26
Rot. Bonds2

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

(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone (PubChem CID 970713) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone
PubChem CID970713
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H10ClN5O/c15-11-6-2-1-5-10(11)13(21)20-14(16)18-12(19-20)9-4-3-7-17-8-9/h1-8H,(H2,16,18,19)
InChIKeyUHIWVKZCJPLNNG-UHFFFAOYSA-N
XLogP2.26
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.26
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
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
3-(2-benzoyl-1H-imidazol-1-yl)-6-chloropyridazine
CID 6401181
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
US9687479, 395 N-benzyl-1-[(2-chlorophenyl)carbonyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
CID 71544427
N-[(2-chlorophenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 137650510
2-chloro-N-(pyridin-2-yl)benzamide
CID 350153
2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 156906982
2-chloro-N'-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide
CID 948029
1-(phenylacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971620

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone (CID 970713) is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone is Nc1nc(-c2cccnc2)nn1C(=O)c1ccccc1Cl.
What is the InChIKey of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone?
The InChIKey is UHIWVKZCJPLNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-11-6-2-1-5-10(11)13(21)20-14(16)18-12(19-20)9-4-3-7-17-8-9/h1-8H,(H2,16,18,19).
What are the key properties of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone?
(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone has a molecular weight of 299.72 g/mol, XLogP of 2.26, 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)-(2-chlorophenyl)methanone is sourced from PubChem (CID 970713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).