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

C17H17N5 — CID 21177180

IUPAC1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(/C=C/c2ccccc2)N(c2ccccc2)C(N)=N1
InChIInChI=1S/C17H17N5/c18-16-20-15(12-11-13-7-3-1-4-8-13)22(17(19)21-16)14-9-5-2-6-10-14/h1-12,15H,(H4,18,19,20,21)/b12-11+
InChIKeyIDKZJHICLLPRQW-VAWYXSNFSA-N
MW291.36 g/mol
LogP2.18
Rot. Bonds3

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

1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine (PubChem CID 21177180) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine
PubChem CID21177180
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(/C=C/c2ccccc2)N(c2ccccc2)C(N)=N1
InChIInChI=1S/C17H17N5/c18-16-20-15(12-11-13-7-3-1-4-8-13)22(17(19)21-16)14-9-5-2-6-10-14/h1-12,15H,(H4,18,19,20,21)/b12-11+
InChIKeyIDKZJHICLLPRQW-VAWYXSNFSA-N
XLogP2.18
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine
CID 692136
1-(4-fluorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine
CID 134113555
4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135587492
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-phenyl-3-(2-phenylethenyl)-3H-isoindol-1-one
CID 141288121
4-(2-phenylethenyl)aniline
CID 13265
(3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 102101655
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
(3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 102450032
methyl (E)-3-[[(3R,4S)-2-oxo-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-3-yl]amino]but-2-enoate
CID 70574548
CID 70569152
CID 70569152
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine (CID 21177180) is 1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine is NC1=NC(/C=C/c2ccccc2)N(c2ccccc2)C(N)=N1.
What is the InChIKey of 1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is IDKZJHICLLPRQW-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17N5/c18-16-20-15(12-11-13-7-3-1-4-8-13)22(17(19)21-16)14-9-5-2-6-10-14/h1-12,15H,(H4,18,19,20,21)/b12-11+.
What are the key properties of 1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine?
1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 291.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 21177180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).