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

C8H14N4O — CID 60981848

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCCCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H14N4O/c1-2-3-4-8(13)9-5-7-10-6-11-12-7/h6H,2-5H2,1H3,(H,9,13)(H,10,11,12)
InChIKeyVARAFSFVUBORTG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.61
Rot. Bonds5

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

N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (PubChem CID 60981848) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
PubChem CID60981848
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCCCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H14N4O/c1-2-3-4-8(13)9-5-7-10-6-11-12-7/h6H,2-5H2,1H3,(H,9,13)(H,10,11,12)
InChIKeyVARAFSFVUBORTG-UHFFFAOYSA-N
XLogP0.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-propyl-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 3236314
N-cyclopentyl-1H-1,2,4-triazole-3-carboxamide
CID 847898
N-Cyclododecyl-1H-1,2,4-triazole-3-carboxamide
CID 602855
N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 136512967
N-((1r,4r)-4-aminocyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 71276489
N-((1r,4r)-4-(4-aminobutanamido)cyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 132228064
3,3,3-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982689
3,3,3-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510849
3,3,3-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64518376
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65711584
4,4,4-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65711977

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (CID 60981848) is N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide is CCCCC(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The InChIKey is VARAFSFVUBORTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-3-4-8(13)9-5-7-10-6-11-12-7/h6H,2-5H2,1H3,(H,9,13)(H,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide has a molecular weight of 182.23 g/mol, XLogP of 0.61, 5 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-ylmethyl)pentanamide is sourced from PubChem (CID 60981848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).