N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C10H15N5O2 — CID 78955812

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cnnc1CCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C10H15N5O2/c1-15-6-13-14-8(15)2-3-11-10(17)7-4-9(16)12-5-7/h6-7H,2-5H2,1H3,(H,11,17)(H,12,16)
InChIKeyBCOLTIHERXBZCK-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.39
Rot. Bonds4

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78955812) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78955812
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cnnc1CCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C10H15N5O2/c1-15-6-13-14-8(15)2-3-11-10(17)7-4-9(16)12-5-7/h6-7H,2-5H2,1H3,(H,11,17)(H,12,16)
InChIKeyBCOLTIHERXBZCK-UHFFFAOYSA-N
XLogP-1.39
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 78955812) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cn1cnnc1CCNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BCOLTIHERXBZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-15-6-13-14-8(15)2-3-11-10(17)7-4-9(16)12-5-7/h6-7H,2-5H2,1H3,(H,11,17)(H,12,16).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78955812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).