(1-methylindazol-5-yl)methanamine

C9H11N3 — CID 23000156

IUPAC(1-methylindazol-5-yl)methanamine
SMILESCn1ncc2cc(CN)ccc21
InChIInChI=1S/C9H11N3/c1-12-9-3-2-7(5-10)4-8(9)6-11-12/h2-4,6H,5,10H2,1H3
InChIKeyILYZCZGIDUYDOI-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.03
Rot. Bonds1

About (1-methylindazol-5-yl)methanamine

(1-methylindazol-5-yl)methanamine (PubChem CID 23000156) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (1-methylindazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methylindazol-5-yl)methanamine
PubChem CID23000156
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(1-methylindazol-5-yl)methanamine
SMILESCn1ncc2cc(CN)ccc21
InChIInChI=1S/C9H11N3/c1-12-9-3-2-7(5-10)4-8(9)6-11-12/h2-4,6H,5,10H2,1H3
InChIKeyILYZCZGIDUYDOI-UHFFFAOYSA-N
XLogP1.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-5-yl)methanamine?
The IUPAC name of (1-methylindazol-5-yl)methanamine (CID 23000156) is (1-methylindazol-5-yl)methanamine.
What is the SMILES notation for (1-methylindazol-5-yl)methanamine?
The canonical SMILES for (1-methylindazol-5-yl)methanamine is Cn1ncc2cc(CN)ccc21.
What is the InChIKey of (1-methylindazol-5-yl)methanamine?
The InChIKey is ILYZCZGIDUYDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-12-9-3-2-7(5-10)4-8(9)6-11-12/h2-4,6H,5,10H2,1H3.
What are the key properties of (1-methylindazol-5-yl)methanamine?
(1-methylindazol-5-yl)methanamine has a molecular weight of 161.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-5-yl)methanamine is sourced from PubChem (CID 23000156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).