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

C14H22N6 — CID 102792235

IUPAC3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C(C)c1nnc2n1CCNC2c1cnn(C)c1
InChIInChI=1S/C14H22N6/c1-9(2)10(3)13-17-18-14-12(15-5-6-20(13)14)11-7-16-19(4)8-11/h7-10,12,15H,5-6H2,1-4H3
InChIKeyNBDIUMMCMZZXOP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.46
Rot. Bonds3

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

3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792235) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792235
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C(C)c1nnc2n1CCNC2c1cnn(C)c1
InChIInChI=1S/C14H22N6/c1-9(2)10(3)13-17-18-14-12(15-5-6-20(13)14)11-7-16-19(4)8-11/h7-10,12,15H,5-6H2,1-4H3
InChIKeyNBDIUMMCMZZXOP-UHFFFAOYSA-N
XLogP1.46
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 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) is 3-(3-methylbutan-2-yl)-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-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)C(C)c1nnc2n1CCNC2c1cnn(C)c1.
What is the InChIKey of 3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NBDIUMMCMZZXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-9(2)10(3)13-17-18-14-12(15-5-6-20(13)14)11-7-16-19(4)8-11/h7-10,12,15H,5-6H2,1-4H3.
What are the key properties of 3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 274.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).