5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid

C14H16N6O4 — CID 122054898

IUPAC5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCOC(=O)c1cn(C2CCCN(c3cnc(C(=O)O)cn3)C2)nn1
InChIInChI=1S/C14H16N6O4/c1-24-14(23)11-8-20(18-17-11)9-3-2-4-19(7-9)12-6-15-10(5-16-12)13(21)22/h5-6,8-9H,2-4,7H2,1H3,(H,21,22)
InChIKeyRWHLLFVJDVRCIT-UHFFFAOYSA-N
MW332.32 g/mol
LogP0.39
Rot. Bonds4

About 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid

5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122054898) has the molecular formula C14H16N6O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122054898
Molecular FormulaC14H16N6O4
Molecular Weight332.32 g/mol
Exact Mass332.12
IUPAC Name5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCOC(=O)c1cn(C2CCCN(c3cnc(C(=O)O)cn3)C2)nn1
InChIInChI=1S/C14H16N6O4/c1-24-14(23)11-8-20(18-17-11)9-3-2-4-19(7-9)12-6-15-10(5-16-12)13(21)22/h5-6,8-9H,2-4,7H2,1H3,(H,21,22)
InChIKeyRWHLLFVJDVRCIT-UHFFFAOYSA-N
XLogP0.39
TPSA123.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 166401696
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122048917
lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate
CID 163715404
1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide
CID 95202808
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 129470217
N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide
CID 95219826

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122054898) is 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is COC(=O)c1cn(C2CCCN(c3cnc(C(=O)O)cn3)C2)nn1.
What is the InChIKey of 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is RWHLLFVJDVRCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O4/c1-24-14(23)11-8-20(18-17-11)9-3-2-4-19(7-9)12-6-15-10(5-16-12)13(21)22/h5-6,8-9H,2-4,7H2,1H3,(H,21,22).
What are the key properties of 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 332.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).