5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H8Cl2N4 — CID 86630680

IUPAC5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1
InChIInChI=1S/C12H8Cl2N4/c1-7-15-12-16-10(13)9(11(14)18(12)17-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyDESJQXJTZDMSFZ-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.41
Rot. Bonds1

About 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 86630680) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID86630680
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1
InChIInChI=1S/C12H8Cl2N4/c1-7-15-12-16-10(13)9(11(14)18(12)17-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyDESJQXJTZDMSFZ-UHFFFAOYSA-N
XLogP3.41
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 86630680) is 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1.
What is the InChIKey of 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DESJQXJTZDMSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c1-7-15-12-16-10(13)9(11(14)18(12)17-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 279.13 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86630680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).