3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C17H28N4O — CID 71932596

IUPAC3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CCCCC1OCCN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C17H28N4O/c1-13-4-2-3-5-15(13)22-11-10-20-8-9-21-16(12-20)18-19-17(21)14-6-7-14/h13-15H,2-12H2,1H3
InChIKeyGDVYWUNWEPQMDG-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.57
Rot. Bonds5

About 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 71932596) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID71932596
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CCCCC1OCCN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C17H28N4O/c1-13-4-2-3-5-15(13)22-11-10-20-8-9-21-16(12-20)18-19-17(21)14-6-7-14/h13-15H,2-12H2,1H3
InChIKeyGDVYWUNWEPQMDG-UHFFFAOYSA-N
XLogP2.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 71932596) is 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC1CCCCC1OCCN1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GDVYWUNWEPQMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-4-2-3-5-15(13)22-11-10-20-8-9-21-16(12-20)18-19-17(21)14-6-7-14/h13-15H,2-12H2,1H3.
What are the key properties of 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 304.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 71932596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).