3-(3-chloroindazol-2-yl)propan-1-amine

C10H12ClN3 — CID 84722992

IUPAC3-(3-chloroindazol-2-yl)propan-1-amine
SMILESNCCCn1nc2ccccc2c1Cl
InChIInChI=1S/C10H12ClN3/c11-10-8-4-1-2-5-9(8)13-14(10)7-3-6-12/h1-2,4-5H,3,6-7,12H2
InChIKeyVWVDWYSVYNWECQ-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.04
Rot. Bonds3

About 3-(3-chloroindazol-2-yl)propan-1-amine

3-(3-chloroindazol-2-yl)propan-1-amine (PubChem CID 84722992) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-(3-chloroindazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloroindazol-2-yl)propan-1-amine
PubChem CID84722992
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name3-(3-chloroindazol-2-yl)propan-1-amine
SMILESNCCCn1nc2ccccc2c1Cl
InChIInChI=1S/C10H12ClN3/c11-10-8-4-1-2-5-9(8)13-14(10)7-3-6-12/h1-2,4-5H,3,6-7,12H2
InChIKeyVWVDWYSVYNWECQ-UHFFFAOYSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroindazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-chloroindazol-2-yl)propan-1-amine (CID 84722992) is 3-(3-chloroindazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-chloroindazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-chloroindazol-2-yl)propan-1-amine is NCCCn1nc2ccccc2c1Cl.
What is the InChIKey of 3-(3-chloroindazol-2-yl)propan-1-amine?
The InChIKey is VWVDWYSVYNWECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-10-8-4-1-2-5-9(8)13-14(10)7-3-6-12/h1-2,4-5H,3,6-7,12H2.
What are the key properties of 3-(3-chloroindazol-2-yl)propan-1-amine?
3-(3-chloroindazol-2-yl)propan-1-amine has a molecular weight of 209.68 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroindazol-2-yl)propan-1-amine is sourced from PubChem (CID 84722992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).