7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C12H12N4 — CID 135911800

IUPAC7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1=CC(c2ccccc2)Nc2ncnn21
InChIInChI=1S/C12H12N4/c1-9-7-11(10-5-3-2-4-6-10)15-12-13-8-14-16(9)12/h2-8,11H,1H3,(H,13,14,15)
InChIKeyICFIXKXTMKXEFG-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.31
Rot. Bonds1

About 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 135911800) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID135911800
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1=CC(c2ccccc2)Nc2ncnn21
InChIInChI=1S/C12H12N4/c1-9-7-11(10-5-3-2-4-6-10)15-12-13-8-14-16(9)12/h2-8,11H,1H3,(H,13,14,15)
InChIKeyICFIXKXTMKXEFG-UHFFFAOYSA-N
XLogP2.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 135911800) is 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC1=CC(c2ccccc2)Nc2ncnn21.
What is the InChIKey of 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ICFIXKXTMKXEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9-7-11(10-5-3-2-4-6-10)15-12-13-8-14-16(9)12/h2-8,11H,1H3,(H,13,14,15).
What are the key properties of 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 212.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135911800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).