6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C17H15N5 — CID 6413024

IUPAC6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESC=CCNc1nc(-c2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C17H15N5/c1-2-11-19-17-15(13-8-4-3-5-9-13)21-22-16(20-17)14-10-6-7-12-18-14/h2-10,12H,1,11H2,(H,19,20,22)
InChIKeyCWJBBRRMMIMUDM-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.20
Rot. Bonds5

About 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 6413024) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID6413024
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESC=CCNc1nc(-c2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C17H15N5/c1-2-11-19-17-15(13-8-4-3-5-9-13)21-22-16(20-17)14-10-6-7-12-18-14/h2-10,12H,1,11H2,(H,19,20,22)
InChIKeyCWJBBRRMMIMUDM-UHFFFAOYSA-N
XLogP3.20
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 6413024) is 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is C=CCNc1nc(-c2ccccn2)nnc1-c1ccccc1.
What is the InChIKey of 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is CWJBBRRMMIMUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-11-19-17-15(13-8-4-3-5-9-13)21-22-16(20-17)14-10-6-7-12-18-14/h2-10,12H,1,11H2,(H,19,20,22).
What are the key properties of 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 289.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-prop-2-enyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 6413024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).