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

C10H18N4O — CID 71878548

IUPAC7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOCCN1CCn2c(C)nnc2C1
InChIInChI=1S/C10H18N4O/c1-3-15-7-6-13-4-5-14-9(2)11-12-10(14)8-13/h3-8H2,1-2H3
InChIKeyFHKDNNDYRGIFPY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.44
Rot. Bonds4

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

7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 71878548) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID71878548
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOCCN1CCn2c(C)nnc2C1
InChIInChI=1S/C10H18N4O/c1-3-15-7-6-13-4-5-14-9(2)11-12-10(14)8-13/h3-8H2,1-2H3
InChIKeyFHKDNNDYRGIFPY-UHFFFAOYSA-N
XLogP0.44
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-Methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine
CID 134141062
3-bromo-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 84049713
3-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 57416366
5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanamine
CID 75355410
{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}methanol
CID 91647478
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
CID 96850208
3-iodo-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 165441840
tert-butyl 3-(ethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 136559866
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 164636521
5-Methoxy-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136391
8-(methoxymethyl)-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 163390370
(8S)-8-(methoxymethyl)-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 170928341

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 71878548) is 7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCOCCN1CCn2c(C)nnc2C1.
What is the InChIKey of 7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FHKDNNDYRGIFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-15-7-6-13-4-5-14-9(2)11-12-10(14)8-13/h3-8H2,1-2H3.
What are the key properties of 7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 210.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 71878548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).