3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C14H18N4 — CID 82592105

IUPAC3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1nc(-c2cccc(N)c2)c2c1CCCC2N
InChIInChI=1S/C14H18N4/c1-18-12-7-3-6-11(16)13(12)14(17-18)9-4-2-5-10(15)8-9/h2,4-5,8,11H,3,6-7,15-16H2,1H3
InChIKeyJORWJJORBFKAHF-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.01
Rot. Bonds1

About 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592105) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592105
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1nc(-c2cccc(N)c2)c2c1CCCC2N
InChIInChI=1S/C14H18N4/c1-18-12-7-3-6-11(16)13(12)14(17-18)9-4-2-5-10(15)8-9/h2,4-5,8,11H,3,6-7,15-16H2,1H3
InChIKeyJORWJJORBFKAHF-UHFFFAOYSA-N
XLogP2.01
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 82592105) is 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1nc(-c2cccc(N)c2)c2c1CCCC2N.
What is the InChIKey of 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is JORWJJORBFKAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18-12-7-3-6-11(16)13(12)14(17-18)9-4-2-5-10(15)8-9/h2,4-5,8,11H,3,6-7,15-16H2,1H3.
What are the key properties of 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).