1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride

C15H29ClN6O — CID 119391025

IUPAC1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)CCn1cc(C(=O)NCCCN2CCNCC2)nn1.Cl
InChIInChI=1S/C15H28N6O.ClH/c1-13(2)4-9-21-12-14(18-19-21)15(22)17-5-3-8-20-10-6-16-7-11-20;/h12-13,16H,3-11H2,1-2H3,(H,17,22);1H
InChIKeyWOORJDMHGPGNJX-UHFFFAOYSA-N
MW344.89 g/mol
LogP0.77
Rot. Bonds8

About 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride

1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119391025) has the molecular formula C15H29ClN6O and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
PubChem CID119391025
Molecular FormulaC15H29ClN6O
Molecular Weight344.89 g/mol
Exact Mass344.21
IUPAC Name1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)CCn1cc(C(=O)NCCCN2CCNCC2)nn1.Cl
InChIInChI=1S/C15H28N6O.ClH/c1-13(2)4-9-21-12-14(18-19-21)15(22)17-5-3-8-20-10-6-16-7-11-20;/h12-13,16H,3-11H2,1-2H3,(H,17,22);1H
InChIKeyWOORJDMHGPGNJX-UHFFFAOYSA-N
XLogP0.77
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride 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-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 111460513
1-[(3-fluorophenyl)methyl]-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide
CID 119392183
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-(3-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
CID 65216494
[1-(3-methylbutyl)triazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470313
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide
CID 111450769
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119898869
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
N-(1-amino-4-methylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119585740
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70748111

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride (CID 119391025) is 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride is CC(C)CCn1cc(C(=O)NCCCN2CCNCC2)nn1.Cl.
What is the InChIKey of 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is WOORJDMHGPGNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O.ClH/c1-13(2)4-9-21-12-14(18-19-21)15(22)17-5-3-8-20-10-6-16-7-11-20;/h12-13,16H,3-11H2,1-2H3,(H,17,22);1H.
What are the key properties of 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride?
1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119391025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).