N-methylcinnolin-4-amine

C9H9N3 — CID 6412705

IUPACN-methylcinnolin-4-amine
SMILESCNc1cnnc2ccccc12
InChIInChI=1S/C9H9N3/c1-10-9-6-11-12-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,10,12)
InChIKeyJQWMWQFXJCCGIH-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.67
Rot. Bonds1

About N-methylcinnolin-4-amine

N-methylcinnolin-4-amine (PubChem CID 6412705) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-methylcinnolin-4-amine.

Molecular Properties

Compound NameN-methylcinnolin-4-amine
PubChem CID6412705
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC NameN-methylcinnolin-4-amine
SMILESCNc1cnnc2ccccc12
InChIInChI=1S/C9H9N3/c1-10-9-6-11-12-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,10,12)
InChIKeyJQWMWQFXJCCGIH-UHFFFAOYSA-N
XLogP1.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylcinnolin-4-amine?
The IUPAC name of N-methylcinnolin-4-amine (CID 6412705) is N-methylcinnolin-4-amine.
What is the SMILES notation for N-methylcinnolin-4-amine?
The canonical SMILES for N-methylcinnolin-4-amine is CNc1cnnc2ccccc12.
What is the InChIKey of N-methylcinnolin-4-amine?
The InChIKey is JQWMWQFXJCCGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-10-9-6-11-12-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,10,12).
What are the key properties of N-methylcinnolin-4-amine?
N-methylcinnolin-4-amine has a molecular weight of 159.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcinnolin-4-amine is sourced from PubChem (CID 6412705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).