N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide

C17H22N4O2 — CID 111471250

IUPACN-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCc1nncn1-c1ccccc1)NCC1CCCC1O
InChIInChI=1S/C17H22N4O2/c22-15-8-4-5-13(15)11-18-17(23)10-9-16-20-19-12-21(16)14-6-2-1-3-7-14/h1-3,6-7,12-13,15,22H,4-5,8-11H2,(H,18,23)
InChIKeyPFUVTZUATYGELM-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.48
Rot. Bonds6

About N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide

N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 111471250) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
PubChem CID111471250
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCc1nncn1-c1ccccc1)NCC1CCCC1O
InChIInChI=1S/C17H22N4O2/c22-15-8-4-5-13(15)11-18-17(23)10-9-16-20-19-12-21(16)14-6-2-1-3-7-14/h1-3,6-7,12-13,15,22H,4-5,8-11H2,(H,18,23)
InChIKeyPFUVTZUATYGELM-UHFFFAOYSA-N
XLogP1.48
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide (CID 111471250) is N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide is O=C(CCc1nncn1-c1ccccc1)NCC1CCCC1O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is PFUVTZUATYGELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-15-8-4-5-13(15)11-18-17(23)10-9-16-20-19-12-21(16)14-6-2-1-3-7-14/h1-3,6-7,12-13,15,22H,4-5,8-11H2,(H,18,23).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 111471250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).