[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone

C14H10ClN5O — CID 971718

IUPAC[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
SMILESNc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccnc1
InChIInChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)12-18-14(16)20(19-12)13(21)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)
InChIKeyKDIAEHHBYNODDR-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.26
Rot. Bonds2

About [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone

[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone (PubChem CID 971718) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
PubChem CID971718
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
SMILESNc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccnc1
InChIInChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)12-18-14(16)20(19-12)13(21)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)
InChIKeyKDIAEHHBYNODDR-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

(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone
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
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
2-Phenyl[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 44549510
US9687479, 395 N-benzyl-1-[(2-chlorophenyl)carbonyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
CID 71544427
5-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-3-carboxamide
CID 165415008
2-chloro-N-(2-ethyl-2H-tetraazol-5-yl)nicotinamide
CID 953792
1-(2-chlorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970713
1-(phenylacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971620
3-(4-Methylphenyl)-1-(pyridine-3-carbonyl)-1H-1,2,4-triazol-5-amine
CID 2954636

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone (CID 971718) is [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone is Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccnc1.
What is the InChIKey of [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
The InChIKey is KDIAEHHBYNODDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)12-18-14(16)20(19-12)13(21)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19).
What are the key properties of [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone 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-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 971718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).