1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one

C5H7N5O — CID 67312223

IUPAC1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1ncn[nH]1
InChIInChI=1S/C5H7N5O/c11-5-6-1-2-10(5)4-7-3-8-9-4/h3H,1-2H2,(H,6,11)(H,7,8,9)
InChIKeyIXGRSBPLQMIRDZ-UHFFFAOYSA-N
MW153.15 g/mol
LogP-0.67
Rot. Bonds1

About 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one

1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one (PubChem CID 67312223) has the molecular formula C5H7N5O and a molecular weight of 153.15 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one
PubChem CID67312223
Molecular FormulaC5H7N5O
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Name1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1ncn[nH]1
InChIInChI=1S/C5H7N5O/c11-5-6-1-2-10(5)4-7-3-8-9-4/h3H,1-2H2,(H,6,11)(H,7,8,9)
InChIKeyIXGRSBPLQMIRDZ-UHFFFAOYSA-N
XLogP-0.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one (CID 67312223) is 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one is O=C1NCCN1c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one?
The InChIKey is IXGRSBPLQMIRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c11-5-6-1-2-10(5)4-7-3-8-9-4/h3H,1-2H2,(H,6,11)(H,7,8,9).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one?
1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one has a molecular weight of 153.15 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one is sourced from PubChem (CID 67312223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).