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

C16H28N4 — CID 107195203

IUPAC3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c1nnc2C1CCCCC1(C)C
InChIInChI=1S/C16H28N4/c1-4-7-13-15-19-18-14(20(15)11-10-17-13)12-8-5-6-9-16(12,2)3/h12-13,17H,4-11H2,1-3H3
InChIKeyCLNRCWYAZFVHRP-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.41
Rot. Bonds3

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

3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 107195203) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID107195203
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c1nnc2C1CCCCC1(C)C
InChIInChI=1S/C16H28N4/c1-4-7-13-15-19-18-14(20(15)11-10-17-13)12-8-5-6-9-16(12,2)3/h12-13,17H,4-11H2,1-3H3
InChIKeyCLNRCWYAZFVHRP-UHFFFAOYSA-N
XLogP3.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107195177
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
3-butan-2-yl-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792492
3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792444
3-(1,1,2,2,2-pentafluoroethyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792563
8-propyl-3-(3-thiophen-2-ylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792424
3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792595
3-(bromomethyl)-5-(2,2-dimethylcyclohexyl)-4-propyl-1,2,4-triazole
CID 107186407
8-ethyl-3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791548
8-cyclopropyl-3-(1-ethylcyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791974
3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791629

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 107195203) is 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCC1NCCn2c1nnc2C1CCCCC1(C)C.
What is the InChIKey of 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CLNRCWYAZFVHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-7-13-15-19-18-14(20(15)11-10-17-13)12-8-5-6-9-16(12,2)3/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 276.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclohexyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 107195203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).