2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide

C13H17N5O — CID 154748583

IUPAC2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H17N5O/c1-3-6-9(2)12(19)16-13-15-11(17-18-13)10-7-4-5-8-14-10/h4-5,7-9H,3,6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyXEBVXVMTCDEHAK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide

2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide (PubChem CID 154748583) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
PubChem CID154748583
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H17N5O/c1-3-6-9(2)12(19)16-13-15-11(17-18-13)10-7-4-5-8-14-10/h4-5,7-9H,3,6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyXEBVXVMTCDEHAK-UHFFFAOYSA-N
XLogP2.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
CID 86992038
2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992034
3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51087375
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 94139491
2-[(2-fluorophenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 75137045
6-oxo-1-propyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide
CID 87018833
3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 55844424
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 87035974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide?
The IUPAC name of 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide (CID 154748583) is 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide.
What is the SMILES notation for 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide?
The canonical SMILES for 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide is CCCC(C)C(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide?
The InChIKey is XEBVXVMTCDEHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-6-9(2)12(19)16-13-15-11(17-18-13)10-7-4-5-8-14-10/h4-5,7-9H,3,6H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide?
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide has a molecular weight of 259.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide is sourced from PubChem (CID 154748583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).