6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

C16H15N3O — CID 126700678

IUPAC6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
SMILESCc1cc2c3c(c1)nc(-c1cccnc1)n3CCCO2
InChIInChI=1S/C16H15N3O/c1-11-8-13-15-14(9-11)20-7-3-6-19(15)16(18-13)12-4-2-5-17-10-12/h2,4-5,8-10H,3,6-7H2,1H3
InChIKeyWPFHZBYWFOXYGK-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.19
Rot. Bonds1

About 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene (PubChem CID 126700678) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene.

Molecular Properties

Compound Name6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
PubChem CID126700678
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
SMILESCc1cc2c3c(c1)nc(-c1cccnc1)n3CCCO2
InChIInChI=1S/C16H15N3O/c1-11-8-13-15-14(9-11)20-7-3-6-19(15)16(18-13)12-4-2-5-17-10-12/h2,4-5,8-10H,3,6-7H2,1H3
InChIKeyWPFHZBYWFOXYGK-UHFFFAOYSA-N
XLogP3.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene?
The IUPAC name of 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene (CID 126700678) is 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene.
What is the SMILES notation for 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene?
The canonical SMILES for 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene is Cc1cc2c3c(c1)nc(-c1cccnc1)n3CCCO2.
What is the InChIKey of 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene?
The InChIKey is WPFHZBYWFOXYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-8-13-15-14(9-11)20-7-3-6-19(15)16(18-13)12-4-2-5-17-10-12/h2,4-5,8-10H,3,6-7H2,1H3.
What are the key properties of 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene?
6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene has a molecular weight of 265.32 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyridin-3-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene is sourced from PubChem (CID 126700678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).