11-methyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C14H10N6O — CID 16653528

IUPAC11-methyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCn1ccc2c(cnc3nc(-c4ccncc4)nn32)c1=O
InChIInChI=1S/C14H10N6O/c1-19-7-4-11-10(13(19)21)8-16-14-17-12(18-20(11)14)9-2-5-15-6-3-9/h2-8H,1H3
InChIKeyCIFDNSSXVHDZFJ-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.04
Rot. Bonds1

About 11-methyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-methyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 16653528) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 11-methyl-4-pyridin-4-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 Name11-methyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID16653528
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name11-methyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCn1ccc2c(cnc3nc(-c4ccncc4)nn32)c1=O
InChIInChI=1S/C14H10N6O/c1-19-7-4-11-10(13(19)21)8-16-14-17-12(18-20(11)14)9-2-5-15-6-3-9/h2-8H,1H3
InChIKeyCIFDNSSXVHDZFJ-UHFFFAOYSA-N
XLogP1.04
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-methyl-4-pyridin-4-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 11-methyl-4-pyridin-4-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 11-methyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 16653528) is 11-methyl-4-pyridin-4-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 11-methyl-4-pyridin-4-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 11-methyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cn1ccc2c(cnc3nc(-c4ccncc4)nn32)c1=O.
What is the InChIKey of 11-methyl-4-pyridin-4-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 CIFDNSSXVHDZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c1-19-7-4-11-10(13(19)21)8-16-14-17-12(18-20(11)14)9-2-5-15-6-3-9/h2-8H,1H3.
What are the key properties of 11-methyl-4-pyridin-4-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-methyl-4-pyridin-4-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 278.28 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-4-pyridin-4-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 16653528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).