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

C18H22N4O — CID 56786211

IUPACN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCCc1nncn1C1CC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H22N4O/c23-17(18(10-4-11-18)14-5-2-1-3-6-14)19-12-9-16-21-20-13-22(16)15-7-8-15/h1-3,5-6,13,15H,4,7-12H2,(H,19,23)
InChIKeyPMOBYGBOKGJYHH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.39
Rot. Bonds6

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

N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 56786211) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID56786211
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCCc1nncn1C1CC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H22N4O/c23-17(18(10-4-11-18)14-5-2-1-3-6-14)19-12-9-16-21-20-13-22(16)15-7-8-15/h1-3,5-6,13,15H,4,7-12H2,(H,19,23)
InChIKeyPMOBYGBOKGJYHH-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide (CID 56786211) is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide is O=C(NCCc1nncn1C1CC1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is PMOBYGBOKGJYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17(18(10-4-11-18)14-5-2-1-3-6-14)19-12-9-16-21-20-13-22(16)15-7-8-15/h1-3,5-6,13,15H,4,7-12H2,(H,19,23).
What are the key properties of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide?
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 56786211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).