6-(3-aminopropylamino)-1,2-dihydroindazol-3-one

C10H14N4O — CID 58936020

IUPAC6-(3-aminopropylamino)-1,2-dihydroindazol-3-one
SMILESNCCCNc1ccc2c(=O)[nH][nH]c2c1
InChIInChI=1S/C10H14N4O/c11-4-1-5-12-7-2-3-8-9(6-7)13-14-10(8)15/h2-3,6,12H,1,4-5,11H2,(H2,13,14,15)
InChIKeyMAJVLXVOEPAUIP-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.62
Rot. Bonds4

About 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one

6-(3-aminopropylamino)-1,2-dihydroindazol-3-one (PubChem CID 58936020) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-(3-aminopropylamino)-1,2-dihydroindazol-3-one
PubChem CID58936020
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name6-(3-aminopropylamino)-1,2-dihydroindazol-3-one
SMILESNCCCNc1ccc2c(=O)[nH][nH]c2c1
InChIInChI=1S/C10H14N4O/c11-4-1-5-12-7-2-3-8-9(6-7)13-14-10(8)15/h2-3,6,12H,1,4-5,11H2,(H2,13,14,15)
InChIKeyMAJVLXVOEPAUIP-UHFFFAOYSA-N
XLogP0.62
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one?
The IUPAC name of 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one (CID 58936020) is 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one is NCCCNc1ccc2c(=O)[nH][nH]c2c1.
What is the InChIKey of 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one?
The InChIKey is MAJVLXVOEPAUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-4-1-5-12-7-2-3-8-9(6-7)13-14-10(8)15/h2-3,6,12H,1,4-5,11H2,(H2,13,14,15).
What are the key properties of 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one?
6-(3-aminopropylamino)-1,2-dihydroindazol-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropylamino)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).