7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide

C14H27N5O — CID 119891057

IUPAC7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide
SMILESCC(C)c1nncn1CCNC(=O)CCCCCCN
InChIInChI=1S/C14H27N5O/c1-12(2)14-18-17-11-19(14)10-9-16-13(20)7-5-3-4-6-8-15/h11-12H,3-10,15H2,1-2H3,(H,16,20)
InChIKeyZJVWYRZNRZYIHH-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.43
Rot. Bonds10

About 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide

7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide (PubChem CID 119891057) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide
PubChem CID119891057
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide
SMILESCC(C)c1nncn1CCNC(=O)CCCCCCN
InChIInChI=1S/C14H27N5O/c1-12(2)14-18-17-11-19(14)10-9-16-13(20)7-5-3-4-6-8-15/h11-12H,3-10,15H2,1-2H3,(H,16,20)
InChIKeyZJVWYRZNRZYIHH-UHFFFAOYSA-N
XLogP1.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide 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-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71892934
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 71894045
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72927971
2-(1-isopropyl-4-piperidinyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 72941163
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-5,5-dimethylhexanamide
CID 72008992
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-1-methyl-2-azepanecarboxamide
CID 72899620
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 75504256
N-[[(3R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95216280
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 119037063

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide (CID 119891057) is 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide is CC(C)c1nncn1CCNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide?
The InChIKey is ZJVWYRZNRZYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-12(2)14-18-17-11-19(14)10-9-16-13(20)7-5-3-4-6-8-15/h11-12H,3-10,15H2,1-2H3,(H,16,20).
What are the key properties of 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide?
7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide has a molecular weight of 281.40 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide is sourced from PubChem (CID 119891057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).