3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride

C7H14Cl2N4O — CID 165479005

IUPAC3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCOCc1nnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C7H12N4O.2ClH/c1-12-5-7-10-9-6-4-8-2-3-11(6)7;;/h8H,2-5H2,1H3;2*1H
InChIKeyMHMZDHKHFAGSFQ-UHFFFAOYSA-N
MW241.12 g/mol
LogP0.37
Rot. Bonds2

About 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride

3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (PubChem CID 165479005) has the molecular formula C7H14Cl2N4O and a molecular weight of 241.12 g/mol. Its IUPAC name is 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
PubChem CID165479005
Molecular FormulaC7H14Cl2N4O
Molecular Weight241.12 g/mol
Exact Mass240.05
IUPAC Name3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCOCc1nnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C7H12N4O.2ClH/c1-12-5-7-10-9-6-4-8-2-3-11(6)7;;/h8H,2-5H2,1H3;2*1H
InChIKeyMHMZDHKHFAGSFQ-UHFFFAOYSA-N
XLogP0.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 51606505
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol dihydrochloride
CID 54595923
3-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 57416366
7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71878548
5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanamine
CID 75355410
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
CID 96850208
5-Methoxy-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136391
5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136394
methyl5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylatedihydrochloride
CID 165479144
(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol
CID 45122042
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
CID 64576288
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
CID 64578297

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The IUPAC name of 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (CID 165479005) is 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.
What is the SMILES notation for 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The canonical SMILES for 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is COCc1nnc2n1CCNC2.Cl.Cl.
What is the InChIKey of 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The InChIKey is MHMZDHKHFAGSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.2ClH/c1-12-5-7-10-9-6-4-8-2-3-11(6)7;;/h8H,2-5H2,1H3;2*1H.
What are the key properties of 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is sourced from PubChem (CID 165479005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).