N-(azetidin-3-yl)-N-propylcinnolin-4-amine

C14H18N4 — CID 66216744

IUPACN-(azetidin-3-yl)-N-propylcinnolin-4-amine
SMILESCCCN(c1cnnc2ccccc12)C1CNC1
InChIInChI=1S/C14H18N4/c1-2-7-18(11-8-15-9-11)14-10-16-17-13-6-4-3-5-12(13)14/h3-6,10-11,15H,2,7-9H2,1H3
InChIKeyDZUOPDJAQMCICR-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.82
Rot. Bonds4

About N-(azetidin-3-yl)-N-propylcinnolin-4-amine

N-(azetidin-3-yl)-N-propylcinnolin-4-amine (PubChem CID 66216744) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-propylcinnolin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-propylcinnolin-4-amine
PubChem CID66216744
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(azetidin-3-yl)-N-propylcinnolin-4-amine
SMILESCCCN(c1cnnc2ccccc12)C1CNC1
InChIInChI=1S/C14H18N4/c1-2-7-18(11-8-15-9-11)14-10-16-17-13-6-4-3-5-12(13)14/h3-6,10-11,15H,2,7-9H2,1H3
InChIKeyDZUOPDJAQMCICR-UHFFFAOYSA-N
XLogP1.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-propylcinnolin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-N-propylcinnolin-4-amine (CID 66216744) is N-(azetidin-3-yl)-N-propylcinnolin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-propylcinnolin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-propylcinnolin-4-amine is CCCN(c1cnnc2ccccc12)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-propylcinnolin-4-amine?
The InChIKey is DZUOPDJAQMCICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-7-18(11-8-15-9-11)14-10-16-17-13-6-4-3-5-12(13)14/h3-6,10-11,15H,2,7-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-propylcinnolin-4-amine?
N-(azetidin-3-yl)-N-propylcinnolin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-propylcinnolin-4-amine is sourced from PubChem (CID 66216744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).