methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride

C7H12Cl2N4O2 — CID 165479144

IUPACmethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1nnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C7H10N4O2.2ClH/c1-13-7(12)6-10-9-5-4-8-2-3-11(5)6;;/h8H,2-4H2,1H3;2*1H
InChIKeyKLJMCWMQPYFWRM-UHFFFAOYSA-N
MW255.10 g/mol
LogP0.01
Rot. Bonds1

About methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride

methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride (PubChem CID 165479144) has the molecular formula C7H12Cl2N4O2 and a molecular weight of 255.10 g/mol. Its IUPAC name is methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride
PubChem CID165479144
Molecular FormulaC7H12Cl2N4O2
Molecular Weight255.10 g/mol
Exact Mass254.03
IUPAC Namemethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1nnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C7H10N4O2.2ClH/c1-13-7(12)6-10-9-5-4-8-2-3-11(5)6;;/h8H,2-4H2,1H3;2*1H
InChIKeyKLJMCWMQPYFWRM-UHFFFAOYSA-N
XLogP0.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

lithium(1+)5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CID 165658090
3-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 57416366
methyl 4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 135988484
3-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazinedihydrochloride
CID 165479005
methyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate
CID 56793762
Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-A]pyrazine-3-carboxylate
CID 17998728
5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
CID 55264502
ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CID 58095842
Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate
CID 58465684
8-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid ethyl ester
CID 66847229
8-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
CID 68799549
ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate
CID 118674753

Frequently Asked Questions

What is the IUPAC name of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride?
The IUPAC name of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride (CID 165479144) is methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride?
The canonical SMILES for methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride is COC(=O)c1nnc2n1CCNC2.Cl.Cl.
What is the InChIKey of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride?
The InChIKey is KLJMCWMQPYFWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2.2ClH/c1-13-7(12)6-10-9-5-4-8-2-3-11(5)6;;/h8H,2-4H2,1H3;2*1H.
What are the key properties of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride?
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride has a molecular weight of 255.10 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;dihydrochloride is sourced from PubChem (CID 165479144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).