N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine

C14H14N4 — CID 79106794

IUPACN-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine
SMILESCc1ccc(C)n1Nc1cnnc2ccccc12
InChIInChI=1S/C14H14N4/c1-10-7-8-11(2)18(10)17-14-9-15-16-13-6-4-3-5-12(13)14/h3-9H,1-2H3,(H,16,17)
InChIKeyCVCYHVSSXHYSOU-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.92
Rot. Bonds2

About N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine

N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine (PubChem CID 79106794) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine
PubChem CID79106794
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine
SMILESCc1ccc(C)n1Nc1cnnc2ccccc12
InChIInChI=1S/C14H14N4/c1-10-7-8-11(2)18(10)17-14-9-15-16-13-6-4-3-5-12(13)14/h3-9H,1-2H3,(H,16,17)
InChIKeyCVCYHVSSXHYSOU-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine (CID 79106794) is N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine is Cc1ccc(C)n1Nc1cnnc2ccccc12.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine?
The InChIKey is CVCYHVSSXHYSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-7-8-11(2)18(10)17-14-9-15-16-13-6-4-3-5-12(13)14/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine?
N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine has a molecular weight of 238.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine is sourced from PubChem (CID 79106794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).