5,6-diaminocyclohexa-1,3-dien-1-ol

C6H10N2O — CID 163948834

IUPAC5,6-diaminocyclohexa-1,3-dien-1-ol
SMILESNC1C=CC=C(O)C1N
InChIInChI=1S/C6H10N2O/c7-4-2-1-3-5(9)6(4)8/h1-4,6,9H,7-8H2
InChIKeyRXMZBCJJJSWYPN-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.35
Rot. Bonds

About 5,6-diaminocyclohexa-1,3-dien-1-ol

5,6-diaminocyclohexa-1,3-dien-1-ol (PubChem CID 163948834) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5,6-diaminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5,6-diaminocyclohexa-1,3-dien-1-ol
PubChem CID163948834
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5,6-diaminocyclohexa-1,3-dien-1-ol
SMILESNC1C=CC=C(O)C1N
InChIInChI=1S/C6H10N2O/c7-4-2-1-3-5(9)6(4)8/h1-4,6,9H,7-8H2
InChIKeyRXMZBCJJJSWYPN-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diaminocyclohexa-1,3-dien-1-ol?
The IUPAC name of 5,6-diaminocyclohexa-1,3-dien-1-ol (CID 163948834) is 5,6-diaminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5,6-diaminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5,6-diaminocyclohexa-1,3-dien-1-ol is NC1C=CC=C(O)C1N.
What is the InChIKey of 5,6-diaminocyclohexa-1,3-dien-1-ol?
The InChIKey is RXMZBCJJJSWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-4-2-1-3-5(9)6(4)8/h1-4,6,9H,7-8H2.
What are the key properties of 5,6-diaminocyclohexa-1,3-dien-1-ol?
5,6-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 5,6-diaminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163948834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).