3,4-diaminocyclohexa-1,3-dien-1-ol

C6H10N2O — CID 143092941

IUPAC3,4-diaminocyclohexa-1,3-dien-1-ol
SMILESNC1=C(N)CCC(O)=C1
InChIInChI=1S/C6H10N2O/c7-5-2-1-4(9)3-6(5)8/h3,9H,1-2,7-8H2
InChIKeyYQQIMENFAAODGE-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.35
Rot. Bonds

About 3,4-diaminocyclohexa-1,3-dien-1-ol

3,4-diaminocyclohexa-1,3-dien-1-ol (PubChem CID 143092941) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3,4-diaminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3,4-diaminocyclohexa-1,3-dien-1-ol
PubChem CID143092941
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3,4-diaminocyclohexa-1,3-dien-1-ol
SMILESNC1=C(N)CCC(O)=C1
InChIInChI=1S/C6H10N2O/c7-5-2-1-4(9)3-6(5)8/h3,9H,1-2,7-8H2
InChIKeyYQQIMENFAAODGE-UHFFFAOYSA-N
XLogP0.35
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,4-diaminocyclohexa-1,3-dien-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-diaminocyclohexa-1,3-dien-1-ol?
The IUPAC name of 3,4-diaminocyclohexa-1,3-dien-1-ol (CID 143092941) is 3,4-diaminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3,4-diaminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3,4-diaminocyclohexa-1,3-dien-1-ol is NC1=C(N)CCC(O)=C1.
What is the InChIKey of 3,4-diaminocyclohexa-1,3-dien-1-ol?
The InChIKey is YQQIMENFAAODGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-5-2-1-4(9)3-6(5)8/h3,9H,1-2,7-8H2.
What are the key properties of 3,4-diaminocyclohexa-1,3-dien-1-ol?
3,4-diaminocyclohexa-1,3-dien-1-ol has a molecular weight of 126.16 g/mol, XLogP of 0.35, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143092941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).