(4-chloro-1-methylindazol-5-yl)methanamine

C9H10ClN3 — CID 82505519

IUPAC(4-chloro-1-methylindazol-5-yl)methanamine
SMILESCn1ncc2c(Cl)c(CN)ccc21
InChIInChI=1S/C9H10ClN3/c1-13-8-3-2-6(4-11)9(10)7(8)5-12-13/h2-3,5H,4,11H2,1H3
InChIKeyPOUPESJYCUERGO-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.69
Rot. Bonds1

About (4-chloro-1-methylindazol-5-yl)methanamine

(4-chloro-1-methylindazol-5-yl)methanamine (PubChem CID 82505519) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is (4-chloro-1-methylindazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-methylindazol-5-yl)methanamine
PubChem CID82505519
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name(4-chloro-1-methylindazol-5-yl)methanamine
SMILESCn1ncc2c(Cl)c(CN)ccc21
InChIInChI=1S/C9H10ClN3/c1-13-8-3-2-6(4-11)9(10)7(8)5-12-13/h2-3,5H,4,11H2,1H3
InChIKeyPOUPESJYCUERGO-UHFFFAOYSA-N
XLogP1.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methylindazol-5-amine
CID 84658253
4-(fluoromethyl)-1-methylindazole
CID 84651809
4-fluoro-1-methylindazol-5-amine
CID 84652063
[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine
CID 79686695
5-(aminomethyl)-1-methylindazol-6-amine
CID 117109473
4-ethyl-1,5-dimethylindazole
CID 176690635
(1-chloronaphthalen-2-yl)methanamine
CID 22286820
1,4-dimethylindazol-5-ol
CID 121228794
2-amino-1-(1-methylindazol-4-yl)ethanone
CID 131191051
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
CID 170862469
(3-chloro-1-methylindazol-5-yl)methanamine
CID 83446741
4-methoxy-1,5-dimethylindazole
CID 170279766

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylindazol-5-yl)methanamine?
The IUPAC name of (4-chloro-1-methylindazol-5-yl)methanamine (CID 82505519) is (4-chloro-1-methylindazol-5-yl)methanamine.
What is the SMILES notation for (4-chloro-1-methylindazol-5-yl)methanamine?
The canonical SMILES for (4-chloro-1-methylindazol-5-yl)methanamine is Cn1ncc2c(Cl)c(CN)ccc21.
What is the InChIKey of (4-chloro-1-methylindazol-5-yl)methanamine?
The InChIKey is POUPESJYCUERGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-13-8-3-2-6(4-11)9(10)7(8)5-12-13/h2-3,5H,4,11H2,1H3.
What are the key properties of (4-chloro-1-methylindazol-5-yl)methanamine?
(4-chloro-1-methylindazol-5-yl)methanamine has a molecular weight of 195.65 g/mol, XLogP of 1.69, 1 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-yl)methanamine is sourced from PubChem (CID 82505519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).