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

C12H10N4 — CID 2295889

IUPAC5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccccc2)n2ncnc2n1
InChIInChI=1S/C12H10N4/c1-9-7-11(10-5-3-2-4-6-10)16-12(15-9)13-8-14-16/h2-8H,1H3
InChIKeyDTGGUFCUGLHNTE-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.10
Rot. Bonds1

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

5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2295889) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2295889
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccccc2)n2ncnc2n1
InChIInChI=1S/C12H10N4/c1-9-7-11(10-5-3-2-4-6-10)16-12(15-9)13-8-14-16/h2-8H,1H3
InChIKeyDTGGUFCUGLHNTE-UHFFFAOYSA-N
XLogP2.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
(R)-Zinc-3573
CID 95882507
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2295889) is 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(-c2ccccc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DTGGUFCUGLHNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-7-11(10-5-3-2-4-6-10)16-12(15-9)13-8-14-16/h2-8H,1H3.
What are the key properties of 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 210.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2295889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).