5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C15H20N4 — CID 136709498

IUPAC5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1CC(CC)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C15H20N4/c1-3-12-10-13(4-2)19-15(16-12)17-14(18-19)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyPUXHXZAPQBUJOZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds3

About 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136709498) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136709498
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1CC(CC)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C15H20N4/c1-3-12-10-13(4-2)19-15(16-12)17-14(18-19)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyPUXHXZAPQBUJOZ-UHFFFAOYSA-N
XLogP3.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709519
methyl 5,7-diethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 136687994
ethyl (5S,6S,7R)-5-hydroxy-5-methyl-2,7-diphenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135837025
2-(3-chlorophenyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839679
2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838650
7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709535
7-(1-methylcyclopropyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840169
N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4975049
methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568091
N-(2-ethylphenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649966
ethyl 5-methyl-2-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135722030
[1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol
CID 131943781

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136709498) is 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CCC1CC(CC)n2nc(-c3ccccc3)nc2N1.
What is the InChIKey of 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PUXHXZAPQBUJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-12-10-13(4-2)19-15(16-12)17-14(18-19)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H,16,17,18).
What are the key properties of 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 256.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).