3-(diazet-3-yl)-1H-imidazol-2-one

C5H4N4O — CID 174326024

IUPAC3-(diazet-3-yl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1=CN=N1
InChIInChI=1S/C5H4N4O/c10-5-6-1-2-9(5)4-3-7-8-4/h1-3H,(H,6,10)
InChIKeyWVFHJRXBBPDXAT-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.40
Rot. Bonds1

About 3-(diazet-3-yl)-1H-imidazol-2-one

3-(diazet-3-yl)-1H-imidazol-2-one (PubChem CID 174326024) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 3-(diazet-3-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(diazet-3-yl)-1H-imidazol-2-one
PubChem CID174326024
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name3-(diazet-3-yl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1=CN=N1
InChIInChI=1S/C5H4N4O/c10-5-6-1-2-9(5)4-3-7-8-4/h1-3H,(H,6,10)
InChIKeyWVFHJRXBBPDXAT-UHFFFAOYSA-N
XLogP0.40
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(diazet-3-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(diazet-3-yl)-1H-imidazol-2-one (CID 174326024) is 3-(diazet-3-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(diazet-3-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(diazet-3-yl)-1H-imidazol-2-one is O=c1[nH]ccn1C1=CN=N1.
What is the InChIKey of 3-(diazet-3-yl)-1H-imidazol-2-one?
The InChIKey is WVFHJRXBBPDXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c10-5-6-1-2-9(5)4-3-7-8-4/h1-3H,(H,6,10).
What are the key properties of 3-(diazet-3-yl)-1H-imidazol-2-one?
3-(diazet-3-yl)-1H-imidazol-2-one has a molecular weight of 136.11 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diazet-3-yl)-1H-imidazol-2-one is sourced from PubChem (CID 174326024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).