8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine

C12H13ClN6 — CID 102801877

IUPAC8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nn(C)cc1-c1nnc2c(Cl)nc(C)c(C)n12
InChIInChI=1S/C12H13ClN6/c1-6-8(3)19-11(9-5-18(4)17-7(9)2)15-16-12(19)10(13)14-6/h5H,1-4H3
InChIKeyWDVDXZPNTAKSQS-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.10
Rot. Bonds1

About 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102801877) has the molecular formula C12H13ClN6 and a molecular weight of 276.73 g/mol. Its IUPAC name is 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102801877
Molecular FormulaC12H13ClN6
Molecular Weight276.73 g/mol
Exact Mass276.09
IUPAC Name8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nn(C)cc1-c1nnc2c(Cl)nc(C)c(C)n12
InChIInChI=1S/C12H13ClN6/c1-6-8(3)19-11(9-5-18(4)17-7(9)2)15-16-12(19)10(13)14-6/h5H,1-4H3
InChIKeyWDVDXZPNTAKSQS-UHFFFAOYSA-N
XLogP2.10
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

8-chloro-3-(3-chloro-2-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 81264986
8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 107989241
methyl 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 102802261
4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine
CID 83090000
4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol
CID 79200361
5-(1,3-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 102801445
2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 69483857
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
2,3,5,8-tetramethylimidazo[1,2-a]pyrazine
CID 167181588
3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4774619
8-chloro-5,6-dimethylimidazo[1,2-a]pyrazine
CID 171820934
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 83093937

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 102801877) is 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nn(C)cc1-c1nnc2c(Cl)nc(C)c(C)n12.
What is the InChIKey of 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WDVDXZPNTAKSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6/c1-6-8(3)19-11(9-5-18(4)17-7(9)2)15-16-12(19)10(13)14-6/h5H,1-4H3.
What are the key properties of 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 276.73 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102801877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).