10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one

C14H12N4O2 — CID 142675510

IUPAC10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one
SMILESO=C1N2C=C3N=NC=C3C(C2)N1OCc1ccccc1
InChIInChI=1S/C14H12N4O2/c19-14-17-7-12-11(6-15-16-12)13(8-17)18(14)20-9-10-4-2-1-3-5-10/h1-7,13H,8-9H2
InChIKeyKONQFRYNSQMTKR-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.43
Rot. Bonds3

About 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one

10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one (PubChem CID 142675510) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one
PubChem CID142675510
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one
SMILESO=C1N2C=C3N=NC=C3C(C2)N1OCc1ccccc1
InChIInChI=1S/C14H12N4O2/c19-14-17-7-12-11(6-15-16-12)13(8-17)18(14)20-9-10-4-2-1-3-5-10/h1-7,13H,8-9H2
InChIKeyKONQFRYNSQMTKR-UHFFFAOYSA-N
XLogP2.43
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one?
The IUPAC name of 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one (CID 142675510) is 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one.
What is the SMILES notation for 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one?
The canonical SMILES for 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one is O=C1N2C=C3N=NC=C3C(C2)N1OCc1ccccc1.
What is the InChIKey of 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one?
The InChIKey is KONQFRYNSQMTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-14-17-7-12-11(6-15-16-12)13(8-17)18(14)20-9-10-4-2-1-3-5-10/h1-7,13H,8-9H2.
What are the key properties of 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one?
10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one has a molecular weight of 268.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one is sourced from PubChem (CID 142675510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).