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

C12H20N4O — CID 75504256

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C12H20N4O/c1-3-5-11(17)13-8-10-14-15-12(16(10)2)9-6-4-7-9/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyYPHURTIARFWNAQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.50
Rot. Bonds5

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

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide (PubChem CID 75504256) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
PubChem CID75504256
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C12H20N4O/c1-3-5-11(17)13-8-10-14-15-12(16(10)2)9-6-4-7-9/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyYPHURTIARFWNAQ-UHFFFAOYSA-N
XLogP1.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide (CID 75504256) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide is CCCC(=O)NCc1nnc(C2CCC2)n1C.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide?
The InChIKey is YPHURTIARFWNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-11(17)13-8-10-14-15-12(16(10)2)9-6-4-7-9/h9H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide has a molecular weight of 236.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]butanamide is sourced from PubChem (CID 75504256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).