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

C10H8BrClN6 — CID 102919252

IUPAC7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nn(-c2cc(Cl)nc3ncnn23)c(C)c1Br
InChIInChI=1S/C10H8BrClN6/c1-5-9(11)6(2)17(16-5)8-3-7(12)15-10-13-4-14-18(8)10/h3-4H,1-2H3
InChIKeyRCWZTWDPQLGLRW-UHFFFAOYSA-N
MW327.57 g/mol
LogP2.34
Rot. Bonds1

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

7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102919252) has the molecular formula C10H8BrClN6 and a molecular weight of 327.57 g/mol. Its IUPAC name is 7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102919252
Molecular FormulaC10H8BrClN6
Molecular Weight327.57 g/mol
Exact Mass325.97
IUPAC Name7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nn(-c2cc(Cl)nc3ncnn23)c(C)c1Br
InChIInChI=1S/C10H8BrClN6/c1-5-9(11)6(2)17(16-5)8-3-7(12)15-10-13-4-14-18(8)10/h3-4H,1-2H3
InChIKeyRCWZTWDPQLGLRW-UHFFFAOYSA-N
XLogP2.34
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919266
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918247
N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918270
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine
CID 83267145
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine
CID 80945243
7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919125
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 102919261
5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918902

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102919252) is 7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nn(-c2cc(Cl)nc3ncnn23)c(C)c1Br.
What is the InChIKey of 7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RCWZTWDPQLGLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN6/c1-5-9(11)6(2)17(16-5)8-3-7(12)15-10-13-4-14-18(8)10/h3-4H,1-2H3.
What are the key properties of 7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 327.57 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102919252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).