3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C14H24N4O — CID 103170900

IUPAC3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC1CC(Cc2nnc3n2CCNC3CC)C1
InChIInChI=1S/C14H24N4O/c1-3-12-14-17-16-13(18(14)6-5-15-12)9-10-7-11(8-10)19-4-2/h10-12,15H,3-9H2,1-2H3
InChIKeyIUGWWFVNIVAESB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds5

About 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103170900) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103170900
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC1CC(Cc2nnc3n2CCNC3CC)C1
InChIInChI=1S/C14H24N4O/c1-3-12-14-17-16-13(18(14)6-5-15-12)9-10-7-11(8-10)19-4-2/h10-12,15H,3-9H2,1-2H3
InChIKeyIUGWWFVNIVAESB-UHFFFAOYSA-N
XLogP1.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103170900) is 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCOC1CC(Cc2nnc3n2CCNC3CC)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IUGWWFVNIVAESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-14-17-16-13(18(14)6-5-15-12)9-10-7-11(8-10)19-4-2/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 264.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)methyl]-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103170900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).