5-methyl-1H-indazol-4-amine

C8H9N3 — CID 19354432

IUPAC5-methyl-1H-indazol-4-amine
SMILESCc1ccc2[nH]ncc2c1N
InChIInChI=1S/C8H9N3/c1-5-2-3-7-6(8(5)9)4-10-11-7/h2-4H,9H2,1H3,(H,10,11)
InChIKeyPGCAHTNLXQHIOZ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.45
Rot. Bonds

About 5-methyl-1H-indazol-4-amine

5-methyl-1H-indazol-4-amine (PubChem CID 19354432) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-methyl-1H-indazol-4-amine.

Molecular Properties

Compound Name5-methyl-1H-indazol-4-amine
PubChem CID19354432
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name5-methyl-1H-indazol-4-amine
SMILESCc1ccc2[nH]ncc2c1N
InChIInChI=1S/C8H9N3/c1-5-2-3-7-6(8(5)9)4-10-11-7/h2-4H,9H2,1H3,(H,10,11)
InChIKeyPGCAHTNLXQHIOZ-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 5-methyl-1H-indazol-4-amine?
The IUPAC name of 5-methyl-1H-indazol-4-amine (CID 19354432) is 5-methyl-1H-indazol-4-amine.
What is the SMILES notation for 5-methyl-1H-indazol-4-amine?
The canonical SMILES for 5-methyl-1H-indazol-4-amine is Cc1ccc2[nH]ncc2c1N.
What is the InChIKey of 5-methyl-1H-indazol-4-amine?
The InChIKey is PGCAHTNLXQHIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-5-2-3-7-6(8(5)9)4-10-11-7/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of 5-methyl-1H-indazol-4-amine?
5-methyl-1H-indazol-4-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 5-methyl-1H-indazol-4-amine is sourced from PubChem (CID 19354432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).