5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C11H11ClN6S — CID 103077094

IUPAC5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Sc2c(C)c(Cl)nc3ncnn23)n(C)n1
InChIInChI=1S/C11H11ClN6S/c1-6-4-8(17(3)16-6)19-10-7(2)9(12)15-11-13-5-14-18(10)11/h4-5H,1-3H3
InChIKeyMGZKGLSQQYXESI-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.28
Rot. Bonds2

About 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103077094) has the molecular formula C11H11ClN6S and a molecular weight of 294.77 g/mol. Its IUPAC name is 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103077094
Molecular FormulaC11H11ClN6S
Molecular Weight294.77 g/mol
Exact Mass294.05
IUPAC Name5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Sc2c(C)c(Cl)nc3ncnn23)n(C)n1
InChIInChI=1S/C11H11ClN6S/c1-6-4-8(17(3)16-6)19-10-7(2)9(12)15-11-13-5-14-18(10)11/h4-5H,1-3H3
InChIKeyMGZKGLSQQYXESI-UHFFFAOYSA-N
XLogP2.28
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-chloro-7-ethylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077048
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole
CID 103077092
5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107780821
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-diethylethanamine
CID 103077116
5-chloro-6-methyl-7-(7H-purin-6-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077091
5-chloro-6-methyl-7-pentylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107751048
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 103077103
5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076140
5-chloro-N-(3,5-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076124
2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 116798270
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106038078

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103077094) is 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(Sc2c(C)c(Cl)nc3ncnn23)n(C)n1.
What is the InChIKey of 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MGZKGLSQQYXESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6S/c1-6-4-8(17(3)16-6)19-10-7(2)9(12)15-11-13-5-14-18(10)11/h4-5H,1-3H3.
What are the key properties of 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 294.77 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103077094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).