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

C7H10N4O2 — CID 165444569

IUPACmethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
SMILESCOC(=O)C1Cn2cnnc2CN1
InChIInChI=1S/C7H10N4O2/c1-13-7(12)5-3-11-4-9-10-6(11)2-8-5/h4-5,8H,2-3H2,1H3
InChIKeyXPXSYWCXUVVVIU-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.08
Rot. Bonds1

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

methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate (PubChem CID 165444569) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
PubChem CID165444569
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Namemethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
SMILESCOC(=O)C1Cn2cnnc2CN1
InChIInChI=1S/C7H10N4O2/c1-13-7(12)5-3-11-4-9-10-6(11)2-8-5/h4-5,8H,2-3H2,1H3
InChIKeyXPXSYWCXUVVVIU-UHFFFAOYSA-N
XLogP-1.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate?
The IUPAC name of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate (CID 165444569) is methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate?
The canonical SMILES for methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate is COC(=O)C1Cn2cnnc2CN1.
What is the InChIKey of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate?
The InChIKey is XPXSYWCXUVVVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-13-7(12)5-3-11-4-9-10-6(11)2-8-5/h4-5,8H,2-3H2,1H3.
What are the key properties of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate?
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate has a molecular weight of 182.18 g/mol, XLogP of -1.08, 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-6-carboxylate is sourced from PubChem (CID 165444569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).