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

C9H17N5O — CID 60983671

IUPAC6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
SMILESNCCCCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O/c10-5-3-1-2-4-9(15)11-6-8-12-7-13-14-8/h7H,1-6,10H2,(H,11,15)(H,12,13,14)
InChIKeyPZRYLQYFYIUHOG-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.06
Rot. Bonds7

About 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide

6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide (PubChem CID 60983671) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
PubChem CID60983671
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
SMILESNCCCCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O/c10-5-3-1-2-4-9(15)11-6-8-12-7-13-14-8/h7H,1-6,10H2,(H,11,15)(H,12,13,14)
InChIKeyPZRYLQYFYIUHOG-UHFFFAOYSA-N
XLogP-0.06
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-cyclopentyl-1H-1,2,4-triazole-3-carboxamide
CID 847898
N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
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
N-cycloheptyl-1H-1,2,4-triazole-3-carboxamide
CID 1500057
N-((1r,4r)-4-aminocyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 71276489
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4H-1,2,4-triazole-3-carboxamide
CID 132228061
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-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64518376

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
The IUPAC name of 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide (CID 60983671) is 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide.
What is the SMILES notation for 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
The canonical SMILES for 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide is NCCCCCC(=O)NCc1ncn[nH]1.
What is the InChIKey of 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
The InChIKey is PZRYLQYFYIUHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c10-5-3-1-2-4-9(15)11-6-8-12-7-13-14-8/h7H,1-6,10H2,(H,11,15)(H,12,13,14).
What are the key properties of 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide has a molecular weight of 211.27 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide is sourced from PubChem (CID 60983671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).