5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide

C15H17N5O3 — CID 169403164

IUPAC5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(OCCN2CCCC2=O)cc1
InChIInChI=1S/C15H17N5O3/c16-15(22)14-13(17-19-18-14)10-3-5-11(6-4-10)23-9-8-20-7-1-2-12(20)21/h3-6H,1-2,7-9H2,(H2,16,22)(H,17,18,19)
InChIKeyFZTWVAVHCSPPRQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.57
Rot. Bonds6

About 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide

5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403164) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403164
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(OCCN2CCCC2=O)cc1
InChIInChI=1S/C15H17N5O3/c16-15(22)14-13(17-19-18-14)10-3-5-11(6-4-10)23-9-8-20-7-1-2-12(20)21/h3-6H,1-2,7-9H2,(H2,16,22)(H,17,18,19)
InChIKeyFZTWVAVHCSPPRQ-UHFFFAOYSA-N
XLogP0.57
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403538
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
5-(4-octoxyphenyl)-2H-triazole-4-carboxamide
CID 169402171
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403649
2-amino-6-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406175
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-[4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenoxy]ethyl]pyrrolidin-2-one
CID 135515228

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide (CID 169403164) is 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccc(OCCN2CCCC2=O)cc1.
What is the InChIKey of 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is FZTWVAVHCSPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c16-15(22)14-13(17-19-18-14)10-3-5-11(6-4-10)23-9-8-20-7-1-2-12(20)21/h3-6H,1-2,7-9H2,(H2,16,22)(H,17,18,19).
What are the key properties of 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide?
5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).