cinnolin-4-amine

C8H7N3 — CID 817744

IUPACcinnolin-4-amine
SMILESNc1cnnc2ccccc12
InChIInChI=1S/C8H7N3/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-5H,(H2,9,11)
InChIKeyDODZTSARNRLOKY-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.21
Rot. Bonds

About cinnolin-4-amine

cinnolin-4-amine (PubChem CID 817744) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is cinnolin-4-amine.

Molecular Properties

Compound Namecinnolin-4-amine
PubChem CID817744
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Namecinnolin-4-amine
SMILESNc1cnnc2ccccc12
InChIInChI=1S/C8H7N3/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-5H,(H2,9,11)
InChIKeyDODZTSARNRLOKY-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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Related Compounds

4-Methylcinnoline
CID 26843
4-(2-Phenylethenyl)cinnoline
CID 22797
3-Methylcinnolin-5-amine
CID 5310645
4-Phenylcinnoline
CID 609867
Cinnoline
CID 9208
4-Styrylcinnoline
CID 6433479
4-Aminocinnoline-3-carbonitrile
CID 395917
5-Aminophthalazine
CID 11228869
4-Chlorocinnoline
CID 10909904
Cyanocinnoline
CID 6323416
Cinnolin-5-amine
CID 387103
4-(1-Piperidinyl)cinnoline
CID 12027113

Frequently Asked Questions

What is the IUPAC name of cinnolin-4-amine?
The IUPAC name of cinnolin-4-amine (CID 817744) is cinnolin-4-amine.
What is the SMILES notation for cinnolin-4-amine?
The canonical SMILES for cinnolin-4-amine is Nc1cnnc2ccccc12.
What is the InChIKey of cinnolin-4-amine?
The InChIKey is DODZTSARNRLOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-5H,(H2,9,11).
What are the key properties of cinnolin-4-amine?
cinnolin-4-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-4-amine is sourced from PubChem (CID 817744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).