6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene

C15H14N6 — CID 666038

IUPAC6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCc1cc(C)c2c(n1)nn1c(-n3ccnc3)cc(C)nc21
InChIInChI=1S/C15H14N6/c1-9-6-10(2)17-14-13(9)15-18-11(3)7-12(21(15)19-14)20-5-4-16-8-20/h4-8H,1-3H3
InChIKeyIACDYHNQDSWQMM-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.39
Rot. Bonds1

About 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene

6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (PubChem CID 666038) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.

Molecular Properties

Compound Name6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
PubChem CID666038
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCc1cc(C)c2c(n1)nn1c(-n3ccnc3)cc(C)nc21
InChIInChI=1S/C15H14N6/c1-9-6-10(2)17-14-13(9)15-18-11(3)7-12(21(15)19-14)20-5-4-16-8-20/h4-8H,1-3H3
InChIKeyIACDYHNQDSWQMM-UHFFFAOYSA-N
XLogP2.39
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The IUPAC name of 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (CID 666038) is 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.
What is the SMILES notation for 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The canonical SMILES for 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is Cc1cc(C)c2c(n1)nn1c(-n3ccnc3)cc(C)nc21.
What is the InChIKey of 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The InChIKey is IACDYHNQDSWQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-9-6-10(2)17-14-13(9)15-18-11(3)7-12(21(15)19-14)20-5-4-16-8-20/h4-8H,1-3H3.
What are the key properties of 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene has a molecular weight of 278.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is sourced from PubChem (CID 666038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).