9-hydroxycarbazole-3,6-diamine

C12H11N3O — CID 130354547

IUPAC9-hydroxycarbazole-3,6-diamine
SMILESNc1ccc2c(c1)c1cc(N)ccc1n2O
InChIInChI=1S/C12H11N3O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15(11)16/h1-6,16H,13-14H2
InChIKeyLZIMTPKMVSQOSS-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.20
Rot. Bonds

About 9-hydroxycarbazole-3,6-diamine

9-hydroxycarbazole-3,6-diamine (PubChem CID 130354547) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 9-hydroxycarbazole-3,6-diamine.

Molecular Properties

Compound Name9-hydroxycarbazole-3,6-diamine
PubChem CID130354547
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name9-hydroxycarbazole-3,6-diamine
SMILESNc1ccc2c(c1)c1cc(N)ccc1n2O
InChIInChI=1S/C12H11N3O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15(11)16/h1-6,16H,13-14H2
InChIKeyLZIMTPKMVSQOSS-UHFFFAOYSA-N
XLogP2.20
TPSA77.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxycarbazole-3,6-diamine?
The IUPAC name of 9-hydroxycarbazole-3,6-diamine (CID 130354547) is 9-hydroxycarbazole-3,6-diamine.
What is the SMILES notation for 9-hydroxycarbazole-3,6-diamine?
The canonical SMILES for 9-hydroxycarbazole-3,6-diamine is Nc1ccc2c(c1)c1cc(N)ccc1n2O.
What is the InChIKey of 9-hydroxycarbazole-3,6-diamine?
The InChIKey is LZIMTPKMVSQOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15(11)16/h1-6,16H,13-14H2.
What are the key properties of 9-hydroxycarbazole-3,6-diamine?
9-hydroxycarbazole-3,6-diamine has a molecular weight of 213.24 g/mol, XLogP of 2.20, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxycarbazole-3,6-diamine is sourced from PubChem (CID 130354547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).