1-methylindazol-5-amine

C8H9N3 — CID 2768032

IUPAC1-methylindazol-5-amine
SMILESCn1ncc2cc(N)ccc21
InChIInChI=1S/C8H9N3/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,9H2,1H3
InChIKeyPYOFNPHTKBSXOM-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.16
Rot. Bonds

About 1-methylindazol-5-amine

1-methylindazol-5-amine (PubChem CID 2768032) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-methylindazol-5-amine.

Molecular Properties

Compound Name1-methylindazol-5-amine
PubChem CID2768032
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1-methylindazol-5-amine
SMILESCn1ncc2cc(N)ccc21
InChIInChI=1S/C8H9N3/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,9H2,1H3
InChIKeyPYOFNPHTKBSXOM-UHFFFAOYSA-N
XLogP1.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 1-methylindazol-5-amine?
The IUPAC name of 1-methylindazol-5-amine (CID 2768032) is 1-methylindazol-5-amine.
What is the SMILES notation for 1-methylindazol-5-amine?
The canonical SMILES for 1-methylindazol-5-amine is Cn1ncc2cc(N)ccc21.
What is the InChIKey of 1-methylindazol-5-amine?
The InChIKey is PYOFNPHTKBSXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,9H2,1H3.
What are the key properties of 1-methylindazol-5-amine?
1-methylindazol-5-amine has a molecular weight of 147.18 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindazol-5-amine is sourced from PubChem (CID 2768032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).