7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C7H7ClN4 — CID 15516618

IUPAC7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(Cl)c1C
InChIInChI=1S/C7H7ClN4/c1-4-5(2)11-7-9-3-10-12(7)6(4)8/h3H,1-2H3
InChIKeyRPHBQCUEWQSJTD-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.39
Rot. Bonds

About 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 15516618) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID15516618
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(Cl)c1C
InChIInChI=1S/C7H7ClN4/c1-4-5(2)11-7-9-3-10-12(7)6(4)8/h3H,1-2H3
InChIKeyRPHBQCUEWQSJTD-UHFFFAOYSA-N
XLogP1.39
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 15516618) is 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(Cl)c1C.
What is the InChIKey of 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RPHBQCUEWQSJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-4-5(2)11-7-9-3-10-12(7)6(4)8/h3H,1-2H3.
What are the key properties of 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 182.61 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15516618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).