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N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide

C19H24N4O2 — CID 121078383

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)C1CCCC1
InChIInChI=1S/C19H24N4O2/c24-18(15-8-4-5-9-15)20-12-13-22-19(25)23(16-10-11-16)17(21-22)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,24)
InChIKeyKVDZMFJMWGNOLK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide

N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 121078383) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID121078383
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)C1CCCC1
InChIInChI=1S/C19H24N4O2/c24-18(15-8-4-5-9-15)20-12-13-22-19(25)23(16-10-11-16)17(21-22)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,24)
InChIKeyKVDZMFJMWGNOLK-UHFFFAOYSA-N
XLogP2.35
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide (CID 121078383) is N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide is O=C(NCCn1nc(-c2ccccc2)n(C2CC2)c1=O)C1CCCC1.
What is the InChIKey of N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is KVDZMFJMWGNOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(15-8-4-5-9-15)20-12-13-22-19(25)23(16-10-11-16)17(21-22)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,24).
What are the key properties of N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide?
N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 121078383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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