7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine

C19H14N4 — CID 71483301

IUPAC7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESC=C(c1ccccc1)c1cn2cnnc2nc1-c1ccccc1
InChIInChI=1S/C19H14N4/c1-14(15-8-4-2-5-9-15)17-12-23-13-20-22-19(23)21-18(17)16-10-6-3-7-11-16/h2-13H,1H2
InChIKeyDZPDFRFLVQMDNT-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.85
Rot. Bonds3

About 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine

7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 71483301) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID71483301
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESC=C(c1ccccc1)c1cn2cnnc2nc1-c1ccccc1
InChIInChI=1S/C19H14N4/c1-14(15-8-4-2-5-9-15)17-12-23-13-20-22-19(23)21-18(17)16-10-6-3-7-11-16/h2-13H,1H2
InChIKeyDZPDFRFLVQMDNT-UHFFFAOYSA-N
XLogP3.85
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 141275469
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
2-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
CID 69067763
1-phenylethenylbenzene;triazine
CID 122635968
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
CID 172736940
CID 172736940
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865
2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
CID 2346353
7-butyl-2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine
CID 4888810

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 71483301) is 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine is C=C(c1ccccc1)c1cn2cnnc2nc1-c1ccccc1.
What is the InChIKey of 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is DZPDFRFLVQMDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-14(15-8-4-2-5-9-15)17-12-23-13-20-22-19(23)21-18(17)16-10-6-3-7-11-16/h2-13H,1H2.
What are the key properties of 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 298.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 71483301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).