1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide

C19H24N4O — CID 75379369

IUPAC1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
SMILESO=C(NCCc1nncn1C1CC1)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C19H24N4O/c24-18(19(10-4-11-19)13-15-5-2-1-3-6-15)20-12-9-17-22-21-14-23(17)16-7-8-16/h1-3,5-6,14,16H,4,7-13H2,(H,20,24)
InChIKeyAUFYZIHSCNMXDD-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.68
Rot. Bonds7

About 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide

1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 75379369) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID75379369
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
SMILESO=C(NCCc1nncn1C1CC1)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C19H24N4O/c24-18(19(10-4-11-19)13-15-5-2-1-3-6-15)20-12-9-17-22-21-14-23(17)16-7-8-16/h1-3,5-6,14,16H,4,7-13H2,(H,20,24)
InChIKeyAUFYZIHSCNMXDD-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide (CID 75379369) is 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide is O=C(NCCc1nncn1C1CC1)C1(Cc2ccccc2)CCC1.
What is the InChIKey of 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is AUFYZIHSCNMXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-18(19(10-4-11-19)13-15-5-2-1-3-6-15)20-12-9-17-22-21-14-23(17)16-7-8-16/h1-3,5-6,14,16H,4,7-13H2,(H,20,24).
What are the key properties of 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide?
1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 75379369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).