1,2-dimethylindazol-2-ium-6-amine;hydrochloride

C9H13ClN3+ — CID 159045651

IUPAC1,2-dimethylindazol-2-ium-6-amine;hydrochloride
SMILESCl.Cn1c2cc(N)ccc2c[n+]1C
InChIInChI=1S/C9H11N3.ClH/c1-11-6-7-3-4-8(10)5-9(7)12(11)2;/h3-6,10H,1-2H3;1H/p+1
InChIKeyJWPTTWJREQENAZ-UHFFFAOYSA-O
MW198.68 g/mol
LogP1.01
Rot. Bonds

About 1,2-dimethylindazol-2-ium-6-amine;hydrochloride

1,2-dimethylindazol-2-ium-6-amine;hydrochloride (PubChem CID 159045651) has the molecular formula C9H13ClN3+ and a molecular weight of 198.68 g/mol. Its IUPAC name is 1,2-dimethylindazol-2-ium-6-amine;hydrochloride.

Molecular Properties

Compound Name1,2-dimethylindazol-2-ium-6-amine;hydrochloride
PubChem CID159045651
Molecular FormulaC9H13ClN3+
Molecular Weight198.68 g/mol
Exact Mass198.08
IUPAC Name1,2-dimethylindazol-2-ium-6-amine;hydrochloride
SMILESCl.Cn1c2cc(N)ccc2c[n+]1C
InChIInChI=1S/C9H11N3.ClH/c1-11-6-7-3-4-8(10)5-9(7)12(11)2;/h3-6,10H,1-2H3;1H/p+1
InChIKeyJWPTTWJREQENAZ-UHFFFAOYSA-O
XLogP1.01
TPSA34.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride
CID 158791095
2-methylindazol-6-amine;dihydrochloride
CID 19354431
2-[(4-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180250
ethane;2-methylindazol-6-amine
CID 178017314
(6-amino-1-ethylindol-2-yl)methanethiol
CID 117180857
9-hydroxycarbazole-3,6-diamine
CID 130354547
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
1,2-dimethylindol-5-amine
CID 6484710
1-acetyl-7-amino-3-methylquinolin-2-one
CID 110668267
1-(4-methylsulfanylphenyl)indol-6-amine
CID 142513871
2-[(cyclopentylamino)methyl]-1-methylindol-6-amine
CID 117180033
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine
CID 117180617

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylindazol-2-ium-6-amine;hydrochloride?
The IUPAC name of 1,2-dimethylindazol-2-ium-6-amine;hydrochloride (CID 159045651) is 1,2-dimethylindazol-2-ium-6-amine;hydrochloride.
What is the SMILES notation for 1,2-dimethylindazol-2-ium-6-amine;hydrochloride?
The canonical SMILES for 1,2-dimethylindazol-2-ium-6-amine;hydrochloride is Cl.Cn1c2cc(N)ccc2c[n+]1C.
What is the InChIKey of 1,2-dimethylindazol-2-ium-6-amine;hydrochloride?
The InChIKey is JWPTTWJREQENAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11N3.ClH/c1-11-6-7-3-4-8(10)5-9(7)12(11)2;/h3-6,10H,1-2H3;1H/p+1.
What are the key properties of 1,2-dimethylindazol-2-ium-6-amine;hydrochloride?
1,2-dimethylindazol-2-ium-6-amine;hydrochloride has a molecular weight of 198.68 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylindazol-2-ium-6-amine;hydrochloride is sourced from PubChem (CID 159045651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).