3-pentoxy-5-phenyl-1,2,4-triazine

C14H17N3O — CID 3053052

IUPAC3-pentoxy-5-phenyl-1,2,4-triazine
SMILESCCCCCOc1nncc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-2-3-7-10-18-14-16-13(11-15-17-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyGBWOVXNOZNKGDR-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.11
Rot. Bonds6

About 3-pentoxy-5-phenyl-1,2,4-triazine

3-pentoxy-5-phenyl-1,2,4-triazine (PubChem CID 3053052) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-pentoxy-5-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-pentoxy-5-phenyl-1,2,4-triazine
PubChem CID3053052
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-pentoxy-5-phenyl-1,2,4-triazine
SMILESCCCCCOc1nncc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-2-3-7-10-18-14-16-13(11-15-17-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyGBWOVXNOZNKGDR-UHFFFAOYSA-N
XLogP3.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-5-phenyl-1,2,4-triazine?
The IUPAC name of 3-pentoxy-5-phenyl-1,2,4-triazine (CID 3053052) is 3-pentoxy-5-phenyl-1,2,4-triazine.
What is the SMILES notation for 3-pentoxy-5-phenyl-1,2,4-triazine?
The canonical SMILES for 3-pentoxy-5-phenyl-1,2,4-triazine is CCCCCOc1nncc(-c2ccccc2)n1.
What is the InChIKey of 3-pentoxy-5-phenyl-1,2,4-triazine?
The InChIKey is GBWOVXNOZNKGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-3-7-10-18-14-16-13(11-15-17-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3.
What are the key properties of 3-pentoxy-5-phenyl-1,2,4-triazine?
3-pentoxy-5-phenyl-1,2,4-triazine has a molecular weight of 243.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-5-phenyl-1,2,4-triazine is sourced from PubChem (CID 3053052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).