(2-methylindazol-4-yl)methanamine;dihydrochloride

C9H13Cl2N3 — CID 155749660

IUPAC(2-methylindazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1cc2c(CN)cccc2n1
InChIInChI=1S/C9H11N3.2ClH/c1-12-6-8-7(5-10)3-2-4-9(8)11-12;;/h2-4,6H,5,10H2,1H3;2*1H
InChIKeyMWSHKDHAQMDKQS-UHFFFAOYSA-N
MW234.13 g/mol
LogP1.88
Rot. Bonds1

About (2-methylindazol-4-yl)methanamine;dihydrochloride

(2-methylindazol-4-yl)methanamine;dihydrochloride (PubChem CID 155749660) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is (2-methylindazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-methylindazol-4-yl)methanamine;dihydrochloride
PubChem CID155749660
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name(2-methylindazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1cc2c(CN)cccc2n1
InChIInChI=1S/C9H11N3.2ClH/c1-12-6-8-7(5-10)3-2-4-9(8)11-12;;/h2-4,6H,5,10H2,1H3;2*1H
InChIKeyMWSHKDHAQMDKQS-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 (2-methylindazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (2-methylindazol-4-yl)methanamine;dihydrochloride (CID 155749660) is (2-methylindazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2-methylindazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (2-methylindazol-4-yl)methanamine;dihydrochloride is Cl.Cl.Cn1cc2c(CN)cccc2n1.
What is the InChIKey of (2-methylindazol-4-yl)methanamine;dihydrochloride?
The InChIKey is MWSHKDHAQMDKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.2ClH/c1-12-6-8-7(5-10)3-2-4-9(8)11-12;;/h2-4,6H,5,10H2,1H3;2*1H.
What are the key properties of (2-methylindazol-4-yl)methanamine;dihydrochloride?
(2-methylindazol-4-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 (2-methylindazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 155749660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).