cinnolin-4-amine;hydrochloride

C8H8ClN3 — CID 171504338

IUPACcinnolin-4-amine;hydrochloride
SMILESCl.Nc1cnnc2ccccc12
InChIInChI=1S/C8H7N3.ClH/c9-7-5-10-11-8-4-2-1-3-6(7)8;/h1-5H,(H2,9,11);1H
InChIKeyQRJSVYYNNPRKKW-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.63
Rot. Bonds

About cinnolin-4-amine;hydrochloride

cinnolin-4-amine;hydrochloride (PubChem CID 171504338) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is cinnolin-4-amine;hydrochloride.

Molecular Properties

Compound Namecinnolin-4-amine;hydrochloride
PubChem CID171504338
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Namecinnolin-4-amine;hydrochloride
SMILESCl.Nc1cnnc2ccccc12
InChIInChI=1S/C8H7N3.ClH/c9-7-5-10-11-8-4-2-1-3-6(7)8;/h1-5H,(H2,9,11);1H
InChIKeyQRJSVYYNNPRKKW-UHFFFAOYSA-N
XLogP1.63
TPSA51.80 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cinnolin-4-amine;hydrochloride?
The IUPAC name of cinnolin-4-amine;hydrochloride (CID 171504338) is cinnolin-4-amine;hydrochloride.
What is the SMILES notation for cinnolin-4-amine;hydrochloride?
The canonical SMILES for cinnolin-4-amine;hydrochloride is Cl.Nc1cnnc2ccccc12.
What is the InChIKey of cinnolin-4-amine;hydrochloride?
The InChIKey is QRJSVYYNNPRKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.ClH/c9-7-5-10-11-8-4-2-1-3-6(7)8;/h1-5H,(H2,9,11);1H.
What are the key properties of cinnolin-4-amine;hydrochloride?
cinnolin-4-amine;hydrochloride has a molecular weight of 181.63 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolin-4-amine;hydrochloride is sourced from PubChem (CID 171504338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).