2-methyl-1,3-dihydroindazol-7-amine

C8H11N3 — CID 123500749

IUPAC2-methyl-1,3-dihydroindazol-7-amine
SMILESCN1Cc2cccc(N)c2N1
InChIInChI=1S/C8H11N3/c1-11-5-6-3-2-4-7(9)8(6)10-11/h2-4,10H,5,9H2,1H3
InChIKeyNUPUBHIUDKIOEL-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.04
Rot. Bonds

About 2-methyl-1,3-dihydroindazol-7-amine

2-methyl-1,3-dihydroindazol-7-amine (PubChem CID 123500749) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-methyl-1,3-dihydroindazol-7-amine.

Molecular Properties

Compound Name2-methyl-1,3-dihydroindazol-7-amine
PubChem CID123500749
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-methyl-1,3-dihydroindazol-7-amine
SMILESCN1Cc2cccc(N)c2N1
InChIInChI=1S/C8H11N3/c1-11-5-6-3-2-4-7(9)8(6)10-11/h2-4,10H,5,9H2,1H3
InChIKeyNUPUBHIUDKIOEL-UHFFFAOYSA-N
XLogP1.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydroindazol-7-amine?
The IUPAC name of 2-methyl-1,3-dihydroindazol-7-amine (CID 123500749) is 2-methyl-1,3-dihydroindazol-7-amine.
What is the SMILES notation for 2-methyl-1,3-dihydroindazol-7-amine?
The canonical SMILES for 2-methyl-1,3-dihydroindazol-7-amine is CN1Cc2cccc(N)c2N1.
What is the InChIKey of 2-methyl-1,3-dihydroindazol-7-amine?
The InChIKey is NUPUBHIUDKIOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-11-5-6-3-2-4-7(9)8(6)10-11/h2-4,10H,5,9H2,1H3.
What are the key properties of 2-methyl-1,3-dihydroindazol-7-amine?
2-methyl-1,3-dihydroindazol-7-amine has a molecular weight of 149.20 g/mol, XLogP of 1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydroindazol-7-amine is sourced from PubChem (CID 123500749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).