7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C18H18N4 — CID 3691795

IUPAC7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cccc(C2CC(c3ccccc3)Nc3ncnn32)c1
InChIInChI=1S/C18H18N4/c1-13-6-5-9-15(10-13)17-11-16(14-7-3-2-4-8-14)21-18-19-12-20-22(17)18/h2-10,12,16-17H,11H2,1H3,(H,19,20,21)
InChIKeyYEDIBVFJZQKFGD-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.73
Rot. Bonds2

About 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3691795) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3691795
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cccc(C2CC(c3ccccc3)Nc3ncnn32)c1
InChIInChI=1S/C18H18N4/c1-13-6-5-9-15(10-13)17-11-16(14-7-3-2-4-8-14)21-18-19-12-20-22(17)18/h2-10,12,16-17H,11H2,1H3,(H,19,20,21)
InChIKeyYEDIBVFJZQKFGD-UHFFFAOYSA-N
XLogP3.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3691795) is 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cccc(C2CC(c3ccccc3)Nc3ncnn32)c1.
What is the InChIKey of 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YEDIBVFJZQKFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-13-6-5-9-15(10-13)17-11-16(14-7-3-2-4-8-14)21-18-19-12-20-22(17)18/h2-10,12,16-17H,11H2,1H3,(H,19,20,21).
What are the key properties of 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 290.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3691795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).