2-methylindazol-6-amine;dihydrochloride

C8H11Cl2N3 — CID 19354431

IUPAC2-methylindazol-6-amine;dihydrochloride
SMILESCl.Cl.Cn1cc2ccc(N)cc2n1
InChIInChI=1S/C8H9N3.2ClH/c1-11-5-6-2-3-7(9)4-8(6)10-11;;/h2-5H,9H2,1H3;2*1H
InChIKeyXZHKVTJDXDQMQY-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.00
Rot. Bonds

About 2-methylindazol-6-amine;dihydrochloride

2-methylindazol-6-amine;dihydrochloride (PubChem CID 19354431) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-methylindazol-6-amine;dihydrochloride.

Molecular Properties

Compound Name2-methylindazol-6-amine;dihydrochloride
PubChem CID19354431
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC Name2-methylindazol-6-amine;dihydrochloride
SMILESCl.Cl.Cn1cc2ccc(N)cc2n1
InChIInChI=1S/C8H9N3.2ClH/c1-11-5-6-2-3-7(9)4-8(6)10-11;;/h2-5H,9H2,1H3;2*1H
InChIKeyXZHKVTJDXDQMQY-UHFFFAOYSA-N
XLogP2.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.00
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 2-methylindazol-6-amine;dihydrochloride?
The IUPAC name of 2-methylindazol-6-amine;dihydrochloride (CID 19354431) is 2-methylindazol-6-amine;dihydrochloride.
What is the SMILES notation for 2-methylindazol-6-amine;dihydrochloride?
The canonical SMILES for 2-methylindazol-6-amine;dihydrochloride is Cl.Cl.Cn1cc2ccc(N)cc2n1.
What is the InChIKey of 2-methylindazol-6-amine;dihydrochloride?
The InChIKey is XZHKVTJDXDQMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.2ClH/c1-11-5-6-2-3-7(9)4-8(6)10-11;;/h2-5H,9H2,1H3;2*1H.
What are the key properties of 2-methylindazol-6-amine;dihydrochloride?
2-methylindazol-6-amine;dihydrochloride has a molecular weight of 220.10 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylindazol-6-amine;dihydrochloride is sourced from PubChem (CID 19354431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).