8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C12H9N7O — CID 56921640

IUPAC8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncnn2c2ccn(-c3ccn[nH]3)c(=O)c12
InChIInChI=1S/C12H9N7O/c1-7-10-8(19-12(16-7)13-6-15-19)3-5-18(11(10)20)9-2-4-14-17-9/h2-6H,1H3,(H,14,17)
InChIKeyINAPTPDXPBNLGK-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.46
Rot. Bonds1

About 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 56921640) has the molecular formula C12H9N7O and a molecular weight of 267.25 g/mol. Its IUPAC name is 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID56921640
Molecular FormulaC12H9N7O
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncnn2c2ccn(-c3ccn[nH]3)c(=O)c12
InChIInChI=1S/C12H9N7O/c1-7-10-8(19-12(16-7)13-6-15-19)3-5-18(11(10)20)9-2-4-14-17-9/h2-6H,1H3,(H,14,17)
InChIKeyINAPTPDXPBNLGK-UHFFFAOYSA-N
XLogP0.46
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 56921640) is 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cc1nc2ncnn2c2ccn(-c3ccn[nH]3)c(=O)c12.
What is the InChIKey of 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is INAPTPDXPBNLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7O/c1-7-10-8(19-12(16-7)13-6-15-19)3-5-18(11(10)20)9-2-4-14-17-9/h2-6H,1H3,(H,14,17).
What are the key properties of 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 267.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 56921640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).