3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C12H22N4 — CID 102792444

IUPAC3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c(CC(C)C)nnc21
InChIInChI=1S/C12H22N4/c1-4-5-10-12-15-14-11(8-9(2)3)16(12)7-6-13-10/h9-10,13H,4-8H2,1-3H3
InChIKeyWUKHWTSUNVWAGN-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.92
Rot. Bonds4

About 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792444) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792444
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c(CC(C)C)nnc21
InChIInChI=1S/C12H22N4/c1-4-5-10-12-15-14-11(8-9(2)3)16(12)7-6-13-10/h9-10,13H,4-8H2,1-3H3
InChIKeyWUKHWTSUNVWAGN-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yl-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792492
3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107005928
3-[(1-methoxycyclobutyl)methyl]-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103560657
8-ethyl-3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791548
8-propyl-3-(3-thiophen-2-ylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792424
3-(1,1,2,2,2-pentafluoroethyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792563
3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107195203
8-ethyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791574
3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792595
3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103170900
3-ethyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586453
8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791606

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792444) is 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCC1NCCn2c(CC(C)C)nnc21.
What is the InChIKey of 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WUKHWTSUNVWAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-5-10-12-15-14-11(8-9(2)3)16(12)7-6-13-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 222.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).