4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine

C9H15N4O- — CID 163415756

IUPAC4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine
SMILESNc1ccc(CCCN(N)[O-])cc1N
InChIInChI=1S/C9H15N4O/c10-8-4-3-7(6-9(8)11)2-1-5-13(12)14/h3-4,6H,1-2,5,10-12H2/q-1
InChIKeyUQIFROXHOYTJSK-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.46
Rot. Bonds4

About 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine

4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine (PubChem CID 163415756) has the molecular formula C9H15N4O- and a molecular weight of 195.25 g/mol. Its IUPAC name is 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine
PubChem CID163415756
Molecular FormulaC9H15N4O-
Molecular Weight195.25 g/mol
Exact Mass195.13
IUPAC Name4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine
SMILESNc1ccc(CCCN(N)[O-])cc1N
InChIInChI=1S/C9H15N4O/c10-8-4-3-7(6-9(8)11)2-1-5-13(12)14/h3-4,6H,1-2,5,10-12H2/q-1
InChIKeyUQIFROXHOYTJSK-UHFFFAOYSA-N
XLogP0.46
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine?
The IUPAC name of 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine (CID 163415756) is 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine.
What is the SMILES notation for 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine?
The canonical SMILES for 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine is Nc1ccc(CCCN(N)[O-])cc1N.
What is the InChIKey of 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine?
The InChIKey is UQIFROXHOYTJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N4O/c10-8-4-3-7(6-9(8)11)2-1-5-13(12)14/h3-4,6H,1-2,5,10-12H2/q-1.
What are the key properties of 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine?
4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine has a molecular weight of 195.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[amino(oxido)amino]propyl]benzene-1,2-diamine is sourced from PubChem (CID 163415756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).