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

C7H12N4O — CID 19171439

IUPACN-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-2-3-4-6(12)10-7-8-5-9-11-7/h5H,2-4H2,1H3,(H2,8,9,10,11,12)
InChIKeyHXIZGGAFQSNQAD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.93
Rot. Bonds4

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

N-(1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 19171439) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID19171439
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-2-3-4-6(12)10-7-8-5-9-11-7/h5H,2-4H2,1H3,(H2,8,9,10,11,12)
InChIKeyHXIZGGAFQSNQAD-UHFFFAOYSA-N
XLogP0.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-1H-1,2,4-Triazol-5-ylacetamide
CID 266439
N-(4H-1,2,4-triazol-3-yl)cyclobutanecarboxamide
CID 53015132
N-(4H-1,2,4-triazol-3-yl)cyclopropanecarboxamide
CID 53015133
3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 132970373
N-(1h-1,2,4-triazol-5-yl)cyano-acetamide
CID 82667977
2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 4065409
2,2,3,3,4,4,5,5,5-nonafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 4451054
3,3,3-trifluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 60967748
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 65711779
1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide
CID 130616396
3,3-difluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 131153934
Pentanedioic acid bis[(1H-[1,2,4]triazol-3-yl)amide]
CID 1313026

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)pentanamide (CID 19171439) is N-(1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)pentanamide is CCCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is HXIZGGAFQSNQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-3-4-6(12)10-7-8-5-9-11-7/h5H,2-4H2,1H3,(H2,8,9,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)pentanamide?
N-(1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 168.20 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 19171439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).