4,4-diaminocyclohexa-1,5-dien-1-ol

C6H10N2O — CID 154064722

IUPAC4,4-diaminocyclohexa-1,5-dien-1-ol
SMILESNC1(N)C=CC(O)=CC1
InChIInChI=1S/C6H10N2O/c7-6(8)3-1-5(9)2-4-6/h1-3,9H,4,7-8H2
InChIKeyHESMHKFYYRXRDR-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.00
Rot. Bonds

About 4,4-diaminocyclohexa-1,5-dien-1-ol

4,4-diaminocyclohexa-1,5-dien-1-ol (PubChem CID 154064722) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4,4-diaminocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4,4-diaminocyclohexa-1,5-dien-1-ol
PubChem CID154064722
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4,4-diaminocyclohexa-1,5-dien-1-ol
SMILESNC1(N)C=CC(O)=CC1
InChIInChI=1S/C6H10N2O/c7-6(8)3-1-5(9)2-4-6/h1-3,9H,4,7-8H2
InChIKeyHESMHKFYYRXRDR-UHFFFAOYSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,4-diaminocyclohexa-1,5-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

Related Compounds

c1-Aminophenol
CID 20474799
4-Amino-quinol
CID 70366629
4-Amino-4-chlorophenol
CID 129760433
4,4-Diamino-3-fluorocyclohexa-1,5-dien-1-ol
CID 70151927
4,4-Diamino-2-fluorocyclohexa-1,5-dien-1-ol
CID 153866092
(4R)-4-aminocyclohexa-1,5-dien-1-ol
CID 67126355
4-Amino-4-methylcyclohexa-1,5-dien-1-ol
CID 67750417
4-Aminocyclohexa-1,5-dien-1-ol
CID 68200165
6,6-Diaminocyclohexa-2,4-diene-1,1,3-triol
CID 68498260
3,3-Diaminocyclohexa-1,5-dien-1-ol
CID 70116897
4,4,5-Triaminocyclohexa-1,5-dien-1-ol
CID 89350190
(3R)-3-aminocyclohexa-1,5-dien-1-ol
CID 89469321

Frequently Asked Questions

What is the IUPAC name of 4,4-diaminocyclohexa-1,5-dien-1-ol?
The IUPAC name of 4,4-diaminocyclohexa-1,5-dien-1-ol (CID 154064722) is 4,4-diaminocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4,4-diaminocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4,4-diaminocyclohexa-1,5-dien-1-ol is NC1(N)C=CC(O)=CC1.
What is the InChIKey of 4,4-diaminocyclohexa-1,5-dien-1-ol?
The InChIKey is HESMHKFYYRXRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-6(8)3-1-5(9)2-4-6/h1-3,9H,4,7-8H2.
What are the key properties of 4,4-diaminocyclohexa-1,5-dien-1-ol?
4,4-diaminocyclohexa-1,5-dien-1-ol has a molecular weight of 126.16 g/mol, XLogP of 0.00, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diaminocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 154064722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).