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

C6H5ClN4 — CID 520127

IUPAC7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C6H5ClN4/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,1H3
InChIKeyNOIPEBKPGPZXNR-UHFFFAOYSA-N
MW168.59 g/mol
LogP1.09
Rot. Bonds

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

7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 520127) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID520127
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C6H5ClN4/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,1H3
InChIKeyNOIPEBKPGPZXNR-UHFFFAOYSA-N
XLogP1.09
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Trapidil
CID 5531
5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine
CID 24356
5-Methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-amine
CID 169505
5-Methyl-s-triazolo(1,5-a)pyrimidine
CID 584230
5-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 671687
7-Chloro-2,5-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 15575744
4-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 40458683
7-Chloro-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1500131
7-Chloro-5-cyclopropyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 63358162
N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17986622
7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 10487287
7-Chloro-2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 13019083

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 520127) is 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2ncnc2n1.
What is the InChIKey of 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NOIPEBKPGPZXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,1H3.
What are the key properties of 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 168.59 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 520127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).