cinnolin-3-amine

C8H7N3 — CID 4210012

IUPACcinnolin-3-amine
SMILESNc1cc2ccccc2nn1
InChIInChI=1S/C8H7N3/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H,(H2,9,11)
InChIKeyDKJAESIQEOLWNK-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.21
Rot. Bonds

About cinnolin-3-amine

cinnolin-3-amine (PubChem CID 4210012) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is cinnolin-3-amine.

Molecular Properties

Compound Namecinnolin-3-amine
PubChem CID4210012
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Namecinnolin-3-amine
SMILESNc1cc2ccccc2nn1
InChIInChI=1S/C8H7N3/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H,(H2,9,11)
InChIKeyDKJAESIQEOLWNK-UHFFFAOYSA-N
XLogP1.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cinnolin-3-amine?
The IUPAC name of cinnolin-3-amine (CID 4210012) is cinnolin-3-amine.
What is the SMILES notation for cinnolin-3-amine?
The canonical SMILES for cinnolin-3-amine is Nc1cc2ccccc2nn1.
What is the InChIKey of cinnolin-3-amine?
The InChIKey is DKJAESIQEOLWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H,(H2,9,11).
What are the key properties of cinnolin-3-amine?
cinnolin-3-amine has a molecular weight of 145.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolin-3-amine is sourced from PubChem (CID 4210012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).