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

C15H26N4O — CID 56780123

IUPAC3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2n1CCN(CCOC1CCCCC1C)C2
InChIInChI=1S/C15H26N4O/c1-12-5-3-4-6-14(12)20-10-9-18-7-8-19-13(2)16-17-15(19)11-18/h12,14H,3-11H2,1-2H3
InChIKeyAMWKIFMBHUMYDY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.00
Rot. Bonds4

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

3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 56780123) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID56780123
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2n1CCN(CCOC1CCCCC1C)C2
InChIInChI=1S/C15H26N4O/c1-12-5-3-4-6-14(12)20-10-9-18-7-8-19-13(2)16-17-15(19)11-18/h12,14H,3-11H2,1-2H3
InChIKeyAMWKIFMBHUMYDY-UHFFFAOYSA-N
XLogP2.00
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 56780123) is 3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2n1CCN(CCOC1CCCCC1C)C2.
What is the InChIKey of 3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AMWKIFMBHUMYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-5-3-4-6-14(12)20-10-9-18-7-8-19-13(2)16-17-15(19)11-18/h12,14H,3-11H2,1-2H3.
What are the key properties of 3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 278.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 56780123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).