11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene

C18H18N6O — CID 137098996

IUPAC11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene
SMILESCOc1ccc2c(c1)c(-c1cc3c([nH]1)N=CC1=CNN(C)C13)nn2C
InChIInChI=1S/C18H18N6O/c1-23-15-5-4-11(25-3)6-12(15)16(22-23)14-7-13-17-10(9-20-24(17)2)8-19-18(13)21-14/h4-9,17,20-21H,1-3H3
InChIKeySHBXPICKMOPYCI-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.67
Rot. Bonds2

About 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene

11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene (PubChem CID 137098996) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene.

Molecular Properties

Compound Name11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene
PubChem CID137098996
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene
SMILESCOc1ccc2c(c1)c(-c1cc3c([nH]1)N=CC1=CNN(C)C13)nn2C
InChIInChI=1S/C18H18N6O/c1-23-15-5-4-11(25-3)6-12(15)16(22-23)14-7-13-17-10(9-20-24(17)2)8-19-18(13)21-14/h4-9,17,20-21H,1-3H3
InChIKeySHBXPICKMOPYCI-UHFFFAOYSA-N
XLogP2.67
TPSA70.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene?
The IUPAC name of 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene (CID 137098996) is 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene.
What is the SMILES notation for 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene?
The canonical SMILES for 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene is COc1ccc2c(c1)c(-c1cc3c([nH]1)N=CC1=CNN(C)C13)nn2C.
What is the InChIKey of 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene?
The InChIKey is SHBXPICKMOPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-23-15-5-4-11(25-3)6-12(15)16(22-23)14-7-13-17-10(9-20-24(17)2)8-19-18(13)21-14/h4-9,17,20-21H,1-3H3.
What are the key properties of 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene?
11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene has a molecular weight of 334.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene is sourced from PubChem (CID 137098996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).