6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine

C17H15N5 — CID 57107679

IUPAC6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESC=C(c1ccccc1)c1ccc(-c2nc(N)nc(N)n2)cc1
InChIInChI=1S/C17H15N5/c1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)15-20-16(18)22-17(19)21-15/h2-10H,1H2,(H4,18,19,20,21,22)
InChIKeyXTCGGTTYWYDVLE-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.76
Rot. Bonds3

About 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine

6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 57107679) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID57107679
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESC=C(c1ccccc1)c1ccc(-c2nc(N)nc(N)n2)cc1
InChIInChI=1S/C17H15N5/c1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)15-20-16(18)22-17(19)21-15/h2-10H,1H2,(H4,18,19,20,21,22)
InChIKeyXTCGGTTYWYDVLE-UHFFFAOYSA-N
XLogP2.76
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 57107679) is 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine is C=C(c1ccccc1)c1ccc(-c2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XTCGGTTYWYDVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)15-20-16(18)22-17(19)21-15/h2-10H,1H2,(H4,18,19,20,21,22).
What are the key properties of 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-phenylethenyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57107679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).