3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one

C19H14ClN5O — CID 135566877

IUPAC3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESCc1cccnc1-n1nc(-c2ccccc2)nc1-c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C19H14ClN5O/c1-12-6-5-9-21-17(12)25-18(14-10-15(20)19(26)22-11-14)23-16(24-25)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,26)
InChIKeyNVMAHFDIMUFGEC-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one

3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one (PubChem CID 135566877) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
PubChem CID135566877
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESCc1cccnc1-n1nc(-c2ccccc2)nc1-c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C19H14ClN5O/c1-12-6-5-9-21-17(12)25-18(14-10-15(20)19(26)22-11-14)23-16(24-25)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,26)
InChIKeyNVMAHFDIMUFGEC-UHFFFAOYSA-N
XLogP3.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 3922884
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 3934876
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
1,5-diphenyl-N-(2-pyridinyl)-1H-1,2,4-triazole-3-carboxamide
CID 900901
N-benzyl-1-butyryl-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2984389
N-Benzyl-1-(3-methylbenzoyl)-3-(pyridin-3-YL)-1H-1,2,4-triazol-5-amine
CID 3886731
1,5-diphenyl-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 17052339
N-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 25133144
(E)-1-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-3-phenylprop-2-en-1-one
CID 162677469
N-(2-Phenylethyl)-5-(3-pyridinyl)-1H-1,2,4-triazole-3-acetamide
CID 39840999

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one (CID 135566877) is 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one is Cc1cccnc1-n1nc(-c2ccccc2)nc1-c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The InChIKey is NVMAHFDIMUFGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-6-5-9-21-17(12)25-18(14-10-15(20)19(26)22-11-14)23-16(24-25)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,26).
What are the key properties of 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one has a molecular weight of 363.81 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(3-methyl-2-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 135566877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).