1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine

C12H14ClN3 — CID 117344001

IUPAC1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine
SMILESCn1nc(Cl)c2c(C3(N)CCC3)cccc21
InChIInChI=1S/C12H14ClN3/c1-16-9-5-2-4-8(10(9)11(13)15-16)12(14)6-3-7-12/h2,4-5H,3,6-7,14H2,1H3
InChIKeyZFJTWGSZLLOQAK-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.56
Rot. Bonds1

About 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine

1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine (PubChem CID 117344001) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine
PubChem CID117344001
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine
SMILESCn1nc(Cl)c2c(C3(N)CCC3)cccc21
InChIInChI=1S/C12H14ClN3/c1-16-9-5-2-4-8(10(9)11(13)15-16)12(14)6-3-7-12/h2,4-5H,3,6-7,14H2,1H3
InChIKeyZFJTWGSZLLOQAK-UHFFFAOYSA-N
XLogP2.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine?
The IUPAC name of 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine (CID 117344001) is 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine is Cn1nc(Cl)c2c(C3(N)CCC3)cccc21.
What is the InChIKey of 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine?
The InChIKey is ZFJTWGSZLLOQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16-9-5-2-4-8(10(9)11(13)15-16)12(14)6-3-7-12/h2,4-5H,3,6-7,14H2,1H3.
What are the key properties of 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine?
1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine has a molecular weight of 235.72 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-methylindazol-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 117344001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).