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

C17H18N6O — CID 110173642

IUPAC7-imidazol-1-yl-12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCCCc1nc(C)c2c(-n3ccnc3)nc3ccc(OC)nc3n12
InChIInChI=1S/C17H18N6O/c1-4-5-13-19-11(2)15-17(22-9-8-18-10-22)20-12-6-7-14(24-3)21-16(12)23(13)15/h6-10H,4-5H2,1-3H3
InChIKeyJIERPHNOSFGLRE-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.73
Rot. Bonds4

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

7-imidazol-1-yl-12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 110173642) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 7-imidazol-1-yl-12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name7-imidazol-1-yl-12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID110173642
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name7-imidazol-1-yl-12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCCCc1nc(C)c2c(-n3ccnc3)nc3ccc(OC)nc3n12
InChIInChI=1S/C17H18N6O/c1-4-5-13-19-11(2)15-17(22-9-8-18-10-22)20-12-6-7-14(24-3)21-16(12)23(13)15/h6-10H,4-5H2,1-3H3
InChIKeyJIERPHNOSFGLRE-UHFFFAOYSA-N
XLogP2.73
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-imidazol-1-yl-12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-12-methoxy-5-methyl-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 7-imidazol-1-yl-12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 110173642) is 7-imidazol-1-yl-12-methoxy-5-methyl-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 7-imidazol-1-yl-12-methoxy-5-methyl-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 7-imidazol-1-yl-12-methoxy-5-methyl-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(-n3ccnc3)nc3ccc(OC)nc3n12.
What is the InChIKey of 7-imidazol-1-yl-12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is JIERPHNOSFGLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-4-5-13-19-11(2)15-17(22-9-8-18-10-22)20-12-6-7-14(24-3)21-16(12)23(13)15/h6-10H,4-5H2,1-3H3.
What are the key properties of 7-imidazol-1-yl-12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
7-imidazol-1-yl-12-methoxy-5-methyl-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 322.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-12-methoxy-5-methyl-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 110173642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).