8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

C13H17N5 — CID 53325935

IUPAC8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESc1cc2nc3c(c(N4CCC4)n2n1)CCNCC3
InChIInChI=1S/C13H17N5/c1-8-17(9-1)13-10-2-5-14-6-3-11(10)16-12-4-7-15-18(12)13/h4,7,14H,1-3,5-6,8-9H2
InChIKeyOXSBNXICTJBRGD-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.63
Rot. Bonds1

About 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (PubChem CID 53325935) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.

Molecular Properties

Compound Name8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
PubChem CID53325935
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESc1cc2nc3c(c(N4CCC4)n2n1)CCNCC3
InChIInChI=1S/C13H17N5/c1-8-17(9-1)13-10-2-5-14-6-3-11(10)16-12-4-7-15-18(12)13/h4,7,14H,1-3,5-6,8-9H2
InChIKeyOXSBNXICTJBRGD-UHFFFAOYSA-N
XLogP0.63
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The IUPAC name of 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (CID 53325935) is 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.
What is the SMILES notation for 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The canonical SMILES for 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is c1cc2nc3c(c(N4CCC4)n2n1)CCNCC3.
What is the InChIKey of 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The InChIKey is OXSBNXICTJBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-17(9-1)13-10-2-5-14-6-3-11(10)16-12-4-7-15-18(12)13/h4,7,14H,1-3,5-6,8-9H2.
What are the key properties of 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene has a molecular weight of 243.31 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is sourced from PubChem (CID 53325935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).