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

C9H16N4O — CID 60983561

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
SMILESCCCCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H16N4O/c1-2-3-4-5-9(14)10-6-8-11-7-12-13-8/h7H,2-6H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyMVDHCTNSQNQPEG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.00
Rot. Bonds6

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

N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide (PubChem CID 60983561) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
PubChem CID60983561
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
SMILESCCCCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H16N4O/c1-2-3-4-5-9(14)10-6-8-11-7-12-13-8/h7H,2-6H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyMVDHCTNSQNQPEG-UHFFFAOYSA-N
XLogP1.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71892934
N-Cyclododecyl-1H-1,2,4-triazole-3-carboxamide
CID 602855
N-[(5-Amino-1H-1,2,4-triazol-3-YL)methyl]-3-(2-oxoazepan-1-YL)propanamide
CID 91768433
N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 136512967
cis-(1R,3S)-1,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 137995501
N-cycloheptyl-1H-1,2,4-triazole-3-carboxamide
CID 1500057
N-((1r,4r)-4-aminocyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79121887
N-((1r,4r)-4-(4-aminobutanamido)cyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 132228064
N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide
CID 162398462

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide (CID 60983561) is N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide is CCCCCC(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
The InChIKey is MVDHCTNSQNQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-3-4-5-9(14)10-6-8-11-7-12-13-8/h7H,2-6H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide has a molecular weight of 196.25 g/mol, XLogP of 1.00, 6 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)hexanamide is sourced from PubChem (CID 60983561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).