2-(1,2,4-triazol-1-yl)imidazolidin-4-one

C5H7N5O — CID 174360927

IUPAC2-(1,2,4-triazol-1-yl)imidazolidin-4-one
SMILESO=C1CNC(n2cncn2)N1
InChIInChI=1S/C5H7N5O/c11-4-1-7-5(9-4)10-3-6-2-8-10/h2-3,5,7H,1H2,(H,9,11)
InChIKeyQMUCXBZDUZWVPS-UHFFFAOYSA-N
MW153.15 g/mol
LogP-1.55
Rot. Bonds1

About 2-(1,2,4-triazol-1-yl)imidazolidin-4-one

2-(1,2,4-triazol-1-yl)imidazolidin-4-one (PubChem CID 174360927) has the molecular formula C5H7N5O and a molecular weight of 153.15 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)imidazolidin-4-one
PubChem CID174360927
Molecular FormulaC5H7N5O
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Name2-(1,2,4-triazol-1-yl)imidazolidin-4-one
SMILESO=C1CNC(n2cncn2)N1
InChIInChI=1S/C5H7N5O/c11-4-1-7-5(9-4)10-3-6-2-8-10/h2-3,5,7H,1H2,(H,9,11)
InChIKeyQMUCXBZDUZWVPS-UHFFFAOYSA-N
XLogP-1.55
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)imidazolidin-4-one?
The IUPAC name of 2-(1,2,4-triazol-1-yl)imidazolidin-4-one (CID 174360927) is 2-(1,2,4-triazol-1-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)imidazolidin-4-one?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)imidazolidin-4-one is O=C1CNC(n2cncn2)N1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)imidazolidin-4-one?
The InChIKey is QMUCXBZDUZWVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c11-4-1-7-5(9-4)10-3-6-2-8-10/h2-3,5,7H,1H2,(H,9,11).
What are the key properties of 2-(1,2,4-triazol-1-yl)imidazolidin-4-one?
2-(1,2,4-triazol-1-yl)imidazolidin-4-one has a molecular weight of 153.15 g/mol, XLogP of -1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)imidazolidin-4-one is sourced from PubChem (CID 174360927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).