3-methyl-2H-indazol-5-amine

C8H9N3 — CID 11298049

IUPAC3-methyl-2H-indazol-5-amine
SMILESCc1[nH]nc2ccc(N)cc12
InChIInChI=1S/C8H9N3/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,9H2,1H3,(H,10,11)
InChIKeyHQMYDRGGBUKAKP-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.45
Rot. Bonds

About 3-methyl-2H-indazol-5-amine

3-methyl-2H-indazol-5-amine (PubChem CID 11298049) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-methyl-2H-indazol-5-amine.

Molecular Properties

Compound Name3-methyl-2H-indazol-5-amine
PubChem CID11298049
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name3-methyl-2H-indazol-5-amine
SMILESCc1[nH]nc2ccc(N)cc12
InChIInChI=1S/C8H9N3/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,9H2,1H3,(H,10,11)
InChIKeyHQMYDRGGBUKAKP-UHFFFAOYSA-N
XLogP1.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-2H-indazol-5-amine?
The IUPAC name of 3-methyl-2H-indazol-5-amine (CID 11298049) is 3-methyl-2H-indazol-5-amine.
What is the SMILES notation for 3-methyl-2H-indazol-5-amine?
The canonical SMILES for 3-methyl-2H-indazol-5-amine is Cc1[nH]nc2ccc(N)cc12.
What is the InChIKey of 3-methyl-2H-indazol-5-amine?
The InChIKey is HQMYDRGGBUKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of 3-methyl-2H-indazol-5-amine?
3-methyl-2H-indazol-5-amine has a molecular weight of 147.18 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-indazol-5-amine is sourced from PubChem (CID 11298049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).