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

C17H18N6 — CID 4973931

IUPAC6-imidazol-1-yl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCCCc1cc(-n2ccnc2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C17H18N6/c1-4-5-13-9-14(22-7-6-18-10-22)23-17(20-13)15-11(2)8-12(3)19-16(15)21-23/h6-10H,4-5H2,1-3H3
InChIKeyCCZMPMWBASICSD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.03
Rot. Bonds3

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

6-imidazol-1-yl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (PubChem CID 4973931) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-imidazol-1-yl-11,13-dimethyl-4-propyl-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-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
PubChem CID4973931
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name6-imidazol-1-yl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCCCc1cc(-n2ccnc2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C17H18N6/c1-4-5-13-9-14(22-7-6-18-10-22)23-17(20-13)15-11(2)8-12(3)19-16(15)21-23/h6-10H,4-5H2,1-3H3
InChIKeyCCZMPMWBASICSD-UHFFFAOYSA-N
XLogP3.03
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-imidazol-1-yl-11,13-dimethyl-4-propyl-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-11,13-dimethyl-4-propyl-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-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (CID 4973931) is 6-imidazol-1-yl-11,13-dimethyl-4-propyl-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-11,13-dimethyl-4-propyl-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-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is CCCc1cc(-n2ccnc2)n2nc3nc(C)cc(C)c3c2n1.
What is the InChIKey of 6-imidazol-1-yl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The InChIKey is CCZMPMWBASICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-4-5-13-9-14(22-7-6-18-10-22)23-17(20-13)15-11(2)8-12(3)19-16(15)21-23/h6-10H,4-5H2,1-3H3.
What are the key properties of 6-imidazol-1-yl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
6-imidazol-1-yl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene has a molecular weight of 306.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-11,13-dimethyl-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is sourced from PubChem (CID 4973931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).