N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine

C12H12N4 — CID 18005902

IUPACN-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine
SMILESC=C(C)c1ncnc(Nc2ccccc2)n1
InChIInChI=1S/C12H12N4/c1-9(2)11-13-8-14-12(16-11)15-10-6-4-3-5-7-10/h3-8H,1H2,2H3,(H,13,14,15,16)
InChIKeyIWSJQJSQQZJVSW-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.65
Rot. Bonds3

About N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine

N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine (PubChem CID 18005902) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine
PubChem CID18005902
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC NameN-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine
SMILESC=C(C)c1ncnc(Nc2ccccc2)n1
InChIInChI=1S/C12H12N4/c1-9(2)11-13-8-14-12(16-11)15-10-6-4-3-5-7-10/h3-8H,1H2,2H3,(H,13,14,15,16)
InChIKeyIWSJQJSQQZJVSW-UHFFFAOYSA-N
XLogP2.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine (CID 18005902) is N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine is C=C(C)c1ncnc(Nc2ccccc2)n1.
What is the InChIKey of N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine?
The InChIKey is IWSJQJSQQZJVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9(2)11-13-8-14-12(16-11)15-10-6-4-3-5-7-10/h3-8H,1H2,2H3,(H,13,14,15,16).
What are the key properties of N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine?
N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine has a molecular weight of 212.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-prop-1-en-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 18005902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).