5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine

C18H17N3O — CID 3053062

IUPAC5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine
SMILESCC(C)Oc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O/c1-13(2)22-18-19-16(14-9-5-3-6-10-14)17(20-21-18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyVEDRKPGPRRBLMN-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.99
Rot. Bonds4

About 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine

5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine (PubChem CID 3053062) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine.

Molecular Properties

Compound Name5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine
PubChem CID3053062
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine
SMILESCC(C)Oc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O/c1-13(2)22-18-19-16(14-9-5-3-6-10-14)17(20-21-18)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyVEDRKPGPRRBLMN-UHFFFAOYSA-N
XLogP3.99
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 78268
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CID 206796
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CID 288439
CID 288439
CID 24063
CID 24063
CID 6401682
CID 6401682
CID 6416736
CID 6416736
CID 2842253
CID 2842253
CID 53353232
CID 53353232
CID 53354627
CID 53354627
CID 2789036
CID 2789036
CID 6409931
CID 6409931

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine?
The IUPAC name of 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine (CID 3053062) is 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine.
What is the SMILES notation for 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine?
The canonical SMILES for 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine is CC(C)Oc1nnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine?
The InChIKey is VEDRKPGPRRBLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13(2)22-18-19-16(14-9-5-3-6-10-14)17(20-21-18)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine?
5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine has a molecular weight of 291.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine is sourced from PubChem (CID 3053062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).