N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide

C14H25N5O — CID 75507628

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide
SMILESCCC(C(=O)NCc1nnc(C2CCC2)n1C)N(C)C
InChIInChI=1S/C14H25N5O/c1-5-11(18(2)3)14(20)15-9-12-16-17-13(19(12)4)10-7-6-8-10/h10-11H,5-9H2,1-4H3,(H,15,20)
InChIKeyGBTAMJPLQUYAMR-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.04
Rot. Bonds6

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide (PubChem CID 75507628) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide
PubChem CID75507628
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide
SMILESCCC(C(=O)NCc1nnc(C2CCC2)n1C)N(C)C
InChIInChI=1S/C14H25N5O/c1-5-11(18(2)3)14(20)15-9-12-16-17-13(19(12)4)10-7-6-8-10/h10-11H,5-9H2,1-4H3,(H,15,20)
InChIKeyGBTAMJPLQUYAMR-UHFFFAOYSA-N
XLogP1.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide 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 N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide (CID 75507628) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide is CCC(C(=O)NCc1nnc(C2CCC2)n1C)N(C)C.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide?
The InChIKey is GBTAMJPLQUYAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-11(18(2)3)14(20)15-9-12-16-17-13(19(12)4)10-7-6-8-10/h10-11H,5-9H2,1-4H3,(H,15,20).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide has a molecular weight of 279.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide is sourced from PubChem (CID 75507628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).