(1-methylindazol-3-yl)methanamine;dihydrochloride

C9H13Cl2N3 — CID 43811028

IUPAC(1-methylindazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1nc(CN)c2ccccc21
InChIInChI=1S/C9H11N3.2ClH/c1-12-9-5-3-2-4-7(9)8(6-10)11-12;;/h2-5H,6,10H2,1H3;2*1H
InChIKeyZHWICCCSNYFLJY-UHFFFAOYSA-N
MW234.13 g/mol
LogP1.88
Rot. Bonds1

About (1-methylindazol-3-yl)methanamine;dihydrochloride

(1-methylindazol-3-yl)methanamine;dihydrochloride (PubChem CID 43811028) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is (1-methylindazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-methylindazol-3-yl)methanamine;dihydrochloride
PubChem CID43811028
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name(1-methylindazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1nc(CN)c2ccccc21
InChIInChI=1S/C9H11N3.2ClH/c1-12-9-5-3-2-4-7(9)8(6-10)11-12;;/h2-5H,6,10H2,1H3;2*1H
InChIKeyZHWICCCSNYFLJY-UHFFFAOYSA-N
XLogP1.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of (1-methylindazol-3-yl)methanamine;dihydrochloride (CID 43811028) is (1-methylindazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-methylindazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-methylindazol-3-yl)methanamine;dihydrochloride is Cl.Cl.Cn1nc(CN)c2ccccc21.
What is the InChIKey of (1-methylindazol-3-yl)methanamine;dihydrochloride?
The InChIKey is ZHWICCCSNYFLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.2ClH/c1-12-9-5-3-2-4-7(9)8(6-10)11-12;;/h2-5H,6,10H2,1H3;2*1H.
What are the key properties of (1-methylindazol-3-yl)methanamine;dihydrochloride?
(1-methylindazol-3-yl)methanamine;dihydrochloride has a molecular weight of 234.13 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 43811028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).