5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine

C4H5N3O — CID 129238000

IUPAC5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine
SMILESNC1=NN=C2CC2O1
InChIInChI=1S/C4H5N3O/c5-4-7-6-2-1-3(2)8-4/h3H,1H2,(H2,5,7)
InChIKeyBSTIVPBNJOPMJC-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.54
Rot. Bonds

About 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine

5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine (PubChem CID 129238000) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine.

Molecular Properties

Compound Name5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine
PubChem CID129238000
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine
SMILESNC1=NN=C2CC2O1
InChIInChI=1S/C4H5N3O/c5-4-7-6-2-1-3(2)8-4/h3H,1H2,(H2,5,7)
InChIKeyBSTIVPBNJOPMJC-UHFFFAOYSA-N
XLogP-0.54
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 18734997
(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 18734996
(5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 95035037
(5R)-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 86312390
2-amino-4,5-dihydro-1,3-oxazol-5-ol
CID 168720328
4-methyl-6-(oxan-4-yl)-4,5-dihydropyridazin-3-amine
CID 64692389
2-azabicyclo[1.1.0]but-1-ene
CID 175297792
6-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 89188885
(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine
CID 67310454
5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine
CID 89235962
(4R)-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2',6-diamine
CID 89235676
7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 138485078

Frequently Asked Questions

What is the IUPAC name of 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine?
The IUPAC name of 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine (CID 129238000) is 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine.
What is the SMILES notation for 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine?
The canonical SMILES for 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine is NC1=NN=C2CC2O1.
What is the InChIKey of 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine?
The InChIKey is BSTIVPBNJOPMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c5-4-7-6-2-1-3(2)8-4/h3H,1H2,(H2,5,7).
What are the key properties of 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine?
5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine has a molecular weight of 111.10 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-2,3-diazabicyclo[4.1.0]hepta-1,3-dien-4-amine is sourced from PubChem (CID 129238000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).