1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide

C13H22N4O — CID 86790783

IUPAC1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C
InChIInChI=1S/C13H22N4O/c1-9(2)11-16-15-10(17(11)4)8-14-12(18)13(3)6-5-7-13/h9H,5-8H2,1-4H3,(H,14,18)
InChIKeyBLJBXVMDUADTKC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.74
Rot. Bonds4

About 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide

1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 86790783) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID86790783
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C
InChIInChI=1S/C13H22N4O/c1-9(2)11-16-15-10(17(11)4)8-14-12(18)13(3)6-5-7-13/h9H,5-8H2,1-4H3,(H,14,18)
InChIKeyBLJBXVMDUADTKC-UHFFFAOYSA-N
XLogP1.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide (CID 86790783) is 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide is CC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C.
What is the InChIKey of 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is BLJBXVMDUADTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)11-16-15-10(17(11)4)8-14-12(18)13(3)6-5-7-13/h9H,5-8H2,1-4H3,(H,14,18).
What are the key properties of 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide?
1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 86790783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).