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

C11H15N5O — CID 113345657

IUPAC1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCc2ncn(C)n2)C1
InChIInChI=1S/C11H15N5O/c1-8-3-11(4-8,6-12)10(17)13-5-9-14-7-16(2)15-9/h7-8H,3-5H2,1-2H3,(H,13,17)
InChIKeyRJLCPCQZTXZJMX-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.37
Rot. Bonds3

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

1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 113345657) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID113345657
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCc2ncn(C)n2)C1
InChIInChI=1S/C11H15N5O/c1-8-3-11(4-8,6-12)10(17)13-5-9-14-7-16(2)15-9/h7-8H,3-5H2,1-2H3,(H,13,17)
InChIKeyRJLCPCQZTXZJMX-UHFFFAOYSA-N
XLogP0.37
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyano-3-methyl-N-[(1-methyl-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-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide (CID 113345657) is 1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCc2ncn(C)n2)C1.
What is the InChIKey of 1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is RJLCPCQZTXZJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-3-11(4-8,6-12)10(17)13-5-9-14-7-16(2)15-9/h7-8H,3-5H2,1-2H3,(H,13,17).
What are the key properties of 1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 113345657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).