N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide

C10H10ClN5O — CID 103094459

IUPACN-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ncccc1Cl
InChIInChI=1S/C10H10ClN5O/c11-8-2-1-4-13-10(8)15-9(17)3-5-16-7-12-6-14-16/h1-2,4,6-7H,3,5H2,(H,13,15,17)
InChIKeyUQAYDXDLPCLHCA-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.36
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 103094459) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID103094459
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC NameN-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ncccc1Cl
InChIInChI=1S/C10H10ClN5O/c11-8-2-1-4-13-10(8)15-9(17)3-5-16-7-12-6-14-16/h1-2,4,6-7H,3,5H2,(H,13,15,17)
InChIKeyUQAYDXDLPCLHCA-UHFFFAOYSA-N
XLogP1.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
N-(2-chloropyrimidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 116798461
N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 24653404
N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113255623
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95296206
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663704
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103789384
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62915060

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 103094459) is N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UQAYDXDLPCLHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-8-2-1-4-13-10(8)15-9(17)3-5-16-7-12-6-14-16/h1-2,4,6-7H,3,5H2,(H,13,15,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 251.68 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 103094459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).