3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C15H22N6 — CID 102792182

IUPAC3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(C2NCCn3c2nnc3C2(C)CCCC2)cn1
InChIInChI=1S/C15H22N6/c1-15(5-3-4-6-15)14-19-18-13-12(16-7-8-21(13)14)11-9-17-20(2)10-11/h9-10,12,16H,3-8H2,1-2H3
InChIKeyQFPZZCNPHAEUGZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.54
Rot. Bonds2

About 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792182) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792182
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(C2NCCn3c2nnc3C2(C)CCCC2)cn1
InChIInChI=1S/C15H22N6/c1-15(5-3-4-6-15)14-19-18-13-12(16-7-8-21(13)14)11-9-17-20(2)10-11/h9-10,12,16H,3-8H2,1-2H3
InChIKeyQFPZZCNPHAEUGZ-UHFFFAOYSA-N
XLogP1.54
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792242
3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792235
8-cyclopropyl-3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 106831432
8-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792181
4-methyl-5-[8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
CID 102792212
8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792231
8-cyclopropyl-3-(1-ethylcyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791974
3-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 130553704
4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride
CID 166561535
4-(2-ethylpyrrolidin-2-yl)-1-methylpyrazole
CID 66466689
3,8-dipyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792330
3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 63138288

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792182) is 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cn1cc(C2NCCn3c2nnc3C2(C)CCCC2)cn1.
What is the InChIKey of 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QFPZZCNPHAEUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-15(5-3-4-6-15)14-19-18-13-12(16-7-8-21(13)14)11-9-17-20(2)10-11/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).