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

C14H22N6O — CID 102792231

IUPAC8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCOCCc1nnc2n1CCNC2c1cnn(C)c1
InChIInChI=1S/C14H22N6O/c1-3-7-21-8-4-12-17-18-14-13(15-5-6-20(12)14)11-9-16-19(2)10-11/h9-10,13,15H,3-8H2,1-2H3
InChIKeyVJUBIZBWDPIUBD-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.67
Rot. Bonds6

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

8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792231) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792231
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCOCCc1nnc2n1CCNC2c1cnn(C)c1
InChIInChI=1S/C14H22N6O/c1-3-7-21-8-4-12-17-18-14-13(15-5-6-20(12)14)11-9-16-19(2)10-11/h9-10,13,15H,3-8H2,1-2H3
InChIKeyVJUBIZBWDPIUBD-UHFFFAOYSA-N
XLogP0.67
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
3-tert-butyl-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792242
3-(propoxymethyl)-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107948664
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
3-(1-methylcyclopentyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792182
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-ethyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791574
8-tert-butyl-3-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103217898
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
3-ethyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586453
8-tert-butyl-3-heptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792154
1-(1-methylpyrazol-4-yl)-3-propylpiperazine
CID 64925636

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792231) is 8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCOCCc1nnc2n1CCNC2c1cnn(C)c1.
What is the InChIKey of 8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VJUBIZBWDPIUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-7-21-8-4-12-17-18-14-13(15-5-6-20(12)14)11-9-16-19(2)10-11/h9-10,13,15H,3-8H2,1-2H3.
What are the key properties of 8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 290.37 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazol-4-yl)-3-(2-propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).