7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide

C11H12N4O — CID 142717375

IUPAC7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c2c1CCC2
InChIInChI=1S/C11H12N4O/c1-6-7-3-2-4-9(7)15-11(14-6)8(5-13-15)10(12)16/h5H,2-4H2,1H3,(H2,12,16)
InChIKeyXWCPVUSWLXLRKU-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.63
Rot. Bonds1

About 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide

7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide (PubChem CID 142717375) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide.

Molecular Properties

Compound Name7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide
PubChem CID142717375
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c2c1CCC2
InChIInChI=1S/C11H12N4O/c1-6-7-3-2-4-9(7)15-11(14-6)8(5-13-15)10(12)16/h5H,2-4H2,1H3,(H2,12,16)
InChIKeyXWCPVUSWLXLRKU-UHFFFAOYSA-N
XLogP0.63
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide?
The IUPAC name of 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide (CID 142717375) is 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide.
What is the SMILES notation for 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide?
The canonical SMILES for 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide is Cc1nc2c(C(N)=O)cnn2c2c1CCC2.
What is the InChIKey of 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide?
The InChIKey is XWCPVUSWLXLRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-6-7-3-2-4-9(7)15-11(14-6)8(5-13-15)10(12)16/h5H,2-4H2,1H3,(H2,12,16).
What are the key properties of 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide?
7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide is sourced from PubChem (CID 142717375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).