3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide

C15H26N4O — CID 56822640

IUPAC3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCn1cnnc1CNC(=O)CC(C)C1CCCCC1
InChIInChI=1S/C15H26N4O/c1-3-19-11-17-18-14(19)10-16-15(20)9-12(2)13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,20)
InChIKeyFNVBLKMPWVAWJB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds6

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

3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide (PubChem CID 56822640) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide
PubChem CID56822640
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCn1cnnc1CNC(=O)CC(C)C1CCCCC1
InChIInChI=1S/C15H26N4O/c1-3-19-11-17-18-14(19)10-16-15(20)9-12(2)13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,20)
InChIKeyFNVBLKMPWVAWJB-UHFFFAOYSA-N
XLogP2.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide?
The IUPAC name of 3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide (CID 56822640) is 3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide?
The canonical SMILES for 3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide is CCn1cnnc1CNC(=O)CC(C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide?
The InChIKey is FNVBLKMPWVAWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-19-11-17-18-14(19)10-16-15(20)9-12(2)13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,20).
What are the key properties of 3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide?
3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide is sourced from PubChem (CID 56822640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).