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

C9H13N5O2 — CID 78983059

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cnnc1CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C9H13N5O2/c1-14-5-12-13-7(14)4-11-9(16)6-2-8(15)10-3-6/h5-6H,2-4H2,1H3,(H,10,15)(H,11,16)
InChIKeyRUEUOGOYOMPKBR-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.43
Rot. Bonds3

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78983059) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78983059
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cnnc1CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C9H13N5O2/c1-14-5-12-13-7(14)4-11-9(16)6-2-8(15)10-3-6/h5-6H,2-4H2,1H3,(H,10,15)(H,11,16)
InChIKeyRUEUOGOYOMPKBR-UHFFFAOYSA-N
XLogP-1.43
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 78983059) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cn1cnnc1CNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RUEUOGOYOMPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-14-5-12-13-7(14)4-11-9(16)6-2-8(15)10-3-6/h5-6H,2-4H2,1H3,(H,10,15)(H,11,16).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78983059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).