triazepin-4-one

C4H3N3O — CID 22499071

IUPACtriazepin-4-one
SMILESO=c1cccnnn1
InChIInChI=1S/C4H3N3O/c8-4-2-1-3-5-7-6-4/h1-3H
InChIKeyFZBHUSOKLCORHH-UHFFFAOYSA-N
MW109.09 g/mol
LogP-0.77
Rot. Bonds

About triazepin-4-one

triazepin-4-one (PubChem CID 22499071) has the molecular formula C4H3N3O and a molecular weight of 109.09 g/mol. Its IUPAC name is triazepin-4-one.

Molecular Properties

Compound Nametriazepin-4-one
PubChem CID22499071
Molecular FormulaC4H3N3O
Molecular Weight109.09 g/mol
Exact Mass109.03
IUPAC Nametriazepin-4-one
SMILESO=c1cccnnn1
InChIInChI=1S/C4H3N3O/c8-4-2-1-3-5-7-6-4/h1-3H
InChIKeyFZBHUSOKLCORHH-UHFFFAOYSA-N
XLogP-0.77
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.09
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of triazepin-4-one?
The IUPAC name of triazepin-4-one (CID 22499071) is triazepin-4-one.
What is the SMILES notation for triazepin-4-one?
The canonical SMILES for triazepin-4-one is O=c1cccnnn1.
What is the InChIKey of triazepin-4-one?
The InChIKey is FZBHUSOKLCORHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O/c8-4-2-1-3-5-7-6-4/h1-3H.
What are the key properties of triazepin-4-one?
triazepin-4-one has a molecular weight of 109.09 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazepin-4-one is sourced from PubChem (CID 22499071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).