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

C15H14N6 — CID 3243970

IUPAC4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C15H14N6/c1-2-8-17-14-18-13(12-6-4-3-5-7-12)19-15(20-14)21-10-9-16-11-21/h2-7,9-11H,1,8H2,(H,17,18,19,20)
InChIKeyUDDCYCCMVCYADO-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.32
Rot. Bonds5

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

4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 3243970) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID3243970
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C15H14N6/c1-2-8-17-14-18-13(12-6-4-3-5-7-12)19-15(20-14)21-10-9-16-11-21/h2-7,9-11H,1,8H2,(H,17,18,19,20)
InChIKeyUDDCYCCMVCYADO-UHFFFAOYSA-N
XLogP2.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 3243970) is 4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is UDDCYCCMVCYADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-2-8-17-14-18-13(12-6-4-3-5-7-12)19-15(20-14)21-10-9-16-11-21/h2-7,9-11H,1,8H2,(H,17,18,19,20).
What are the key properties of 4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 278.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-phenyl-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3243970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).