7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H9ClN4 — CID 824033

IUPAC7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccc(Cl)cc2)n2ncnc2n1
InChIInChI=1S/C12H9ClN4/c1-8-6-11(9-2-4-10(13)5-3-9)17-12(16-8)14-7-15-17/h2-7H,1H3
InChIKeyCWGIKQLFNNSIEU-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.75
Rot. Bonds1

About 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 824033) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID824033
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccc(Cl)cc2)n2ncnc2n1
InChIInChI=1S/C12H9ClN4/c1-8-6-11(9-2-4-10(13)5-3-9)17-12(16-8)14-7-15-17/h2-7H,1H3
InChIKeyCWGIKQLFNNSIEU-UHFFFAOYSA-N
XLogP2.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
4-Chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 156612922
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 824033) is 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(-c2ccc(Cl)cc2)n2ncnc2n1.
What is the InChIKey of 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CWGIKQLFNNSIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c1-8-6-11(9-2-4-10(13)5-3-9)17-12(16-8)14-7-15-17/h2-7H,1H3.
What are the key properties of 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 244.69 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 824033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).