N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide

C15H24N4O — CID 71921255

IUPACN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCc2nncn2C2CC2)CCC1
InChIInChI=1S/C15H24N4O/c1-11(2)8-15(6-3-7-15)14(20)16-9-13-18-17-10-19(13)12-4-5-12/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyJMNBPJKVCUXDOC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds6

About N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide (PubChem CID 71921255) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
PubChem CID71921255
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCc2nncn2C2CC2)CCC1
InChIInChI=1S/C15H24N4O/c1-11(2)8-15(6-3-7-15)14(20)16-9-13-18-17-10-19(13)12-4-5-12/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyJMNBPJKVCUXDOC-UHFFFAOYSA-N
XLogP2.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide 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
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
CID 71855011
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide
CID 71971689
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-5,5-dimethylhexanamide
CID 72008992
N-{rel-(3R,4S)-1-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide hydrochloride
CID 72913811
(1S)-2,2-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 137976386
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide
CID 164628121
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide
CID 154736497
N~1~-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-D-leucinamide
CID 56880888
1-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 43706318
2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 43706334
2-amino-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 43706340

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide (CID 71921255) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide is CC(C)CC1(C(=O)NCc2nncn2C2CC2)CCC1.
What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide?
The InChIKey is JMNBPJKVCUXDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)8-15(6-3-7-15)14(20)16-9-13-18-17-10-19(13)12-4-5-12/h10-12H,3-9H2,1-2H3,(H,16,20).
What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide?
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 71921255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).