4-chloro-1-methylindazol-5-amine

C8H8ClN3 — CID 84658253

IUPAC4-chloro-1-methylindazol-5-amine
SMILESCn1ncc2c(Cl)c(N)ccc21
InChIInChI=1S/C8H8ClN3/c1-12-7-3-2-6(10)8(9)5(7)4-11-12/h2-4H,10H2,1H3
InChIKeyDUFMSIMACKBHMP-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.81
Rot. Bonds

About 4-chloro-1-methylindazol-5-amine

4-chloro-1-methylindazol-5-amine (PubChem CID 84658253) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 4-chloro-1-methylindazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-methylindazol-5-amine
PubChem CID84658253
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name4-chloro-1-methylindazol-5-amine
SMILESCn1ncc2c(Cl)c(N)ccc21
InChIInChI=1S/C8H8ClN3/c1-12-7-3-2-6(10)8(9)5(7)4-11-12/h2-4H,10H2,1H3
InChIKeyDUFMSIMACKBHMP-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-methylindazol-5-amine
CID 84652063
(4-chloro-1-methylindazol-5-yl)methanamine
CID 82505519
2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol
CID 139415206
1,4-dimethylindazol-5-ol
CID 121228794
5-chloro-1-methylpyrazol-4-amine;dihydrochloride
CID 122164434
4-fluoro-5-iodo-1-methylindazole
CID 176891640
4-methoxy-1,5-dimethylindazole
CID 170279766
4-ethyl-1,5-dimethylindazole
CID 176690635
4-tert-butyl-1,5-dimethylindazole
CID 138655344
5-(2-fluoro-6-methylphenoxy)-1-methylindazol-4-amine
CID 171554183
1-chloro-2-(1-methylindazol-4-yl)hydrazine
CID 88866693
4-bromo-1-methylindazole-5-carbaldehyde
CID 117109426

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylindazol-5-amine?
The IUPAC name of 4-chloro-1-methylindazol-5-amine (CID 84658253) is 4-chloro-1-methylindazol-5-amine.
What is the SMILES notation for 4-chloro-1-methylindazol-5-amine?
The canonical SMILES for 4-chloro-1-methylindazol-5-amine is Cn1ncc2c(Cl)c(N)ccc21.
What is the InChIKey of 4-chloro-1-methylindazol-5-amine?
The InChIKey is DUFMSIMACKBHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-12-7-3-2-6(10)8(9)5(7)4-11-12/h2-4H,10H2,1H3.
What are the key properties of 4-chloro-1-methylindazol-5-amine?
4-chloro-1-methylindazol-5-amine has a molecular weight of 181.63 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylindazol-5-amine is sourced from PubChem (CID 84658253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).