7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

C14H14N4 — CID 19978082

IUPAC7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESc1cnc2c(c1)nc(N1CCCC1)c1cccn12
InChIInChI=1S/C14H14N4/c1-2-9-17(8-1)14-12-6-4-10-18(12)13-11(16-14)5-3-7-15-13/h3-7,10H,1-2,8-9H2
InChIKeyOQOQAWLETYVHKG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.48
Rot. Bonds1

About 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 19978082) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID19978082
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESc1cnc2c(c1)nc(N1CCCC1)c1cccn12
InChIInChI=1S/C14H14N4/c1-2-9-17(8-1)14-12-6-4-10-18(12)13-11(16-14)5-3-7-15-13/h3-7,10H,1-2,8-9H2
InChIKeyOQOQAWLETYVHKG-UHFFFAOYSA-N
XLogP2.48
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 19978082) is 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is c1cnc2c(c1)nc(N1CCCC1)c1cccn12.
What is the InChIKey of 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is OQOQAWLETYVHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-9-17(8-1)14-12-6-4-10-18(12)13-11(16-14)5-3-7-15-13/h3-7,10H,1-2,8-9H2.
What are the key properties of 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 238.29 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 19978082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).