5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

C15H18N4 — CID 24802891

IUPAC5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCCCc1nc(C)c2c(C)nc3ccc(C)nc3n12
InChIInChI=1S/C15H18N4/c1-5-6-13-18-11(4)14-10(3)17-12-8-7-9(2)16-15(12)19(13)14/h7-8H,5-6H2,1-4H3
InChIKeyLRDQYOCREKIELY-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.16
Rot. Bonds2

About 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 24802891) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID24802891
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCCCc1nc(C)c2c(C)nc3ccc(C)nc3n12
InChIInChI=1S/C15H18N4/c1-5-6-13-18-11(4)14-10(3)17-12-8-7-9(2)16-15(12)19(13)14/h7-8H,5-6H2,1-4H3
InChIKeyLRDQYOCREKIELY-UHFFFAOYSA-N
XLogP3.16
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 24802891) is 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is CCCc1nc(C)c2c(C)nc3ccc(C)nc3n12.
What is the InChIKey of 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is LRDQYOCREKIELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-5-6-13-18-11(4)14-10(3)17-12-8-7-9(2)16-15(12)19(13)14/h7-8H,5-6H2,1-4H3.
What are the key properties of 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 254.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,12-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 24802891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).