methyl 5-(triazol-1-yl)pyrazine-2-carboxylate

C8H7N5O2 — CID 58449150

IUPACmethyl 5-(triazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-n2ccnn2)cn1
InChIInChI=1S/C8H7N5O2/c1-15-8(14)6-4-10-7(5-9-6)13-3-2-11-12-13/h2-5H,1H3
InChIKeyPSDSJMUQJAKEMW-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.16
Rot. Bonds2

About methyl 5-(triazol-1-yl)pyrazine-2-carboxylate

methyl 5-(triazol-1-yl)pyrazine-2-carboxylate (PubChem CID 58449150) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is methyl 5-(triazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(triazol-1-yl)pyrazine-2-carboxylate
PubChem CID58449150
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Namemethyl 5-(triazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-n2ccnn2)cn1
InChIInChI=1S/C8H7N5O2/c1-15-8(14)6-4-10-7(5-9-6)13-3-2-11-12-13/h2-5H,1H3
InChIKeyPSDSJMUQJAKEMW-UHFFFAOYSA-N
XLogP-0.16
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
methyl 5-dimethylphosphorylpyrazine-2-carboxylate
CID 155822317
methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114059784
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
CID 70234907
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate
CID 114059865
methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
methyl 5-(aminomethyl)pyrazine-2-carboxylate;hydrochloride
CID 67079097
methyl 5-(2-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 118408847

Frequently Asked Questions

What is the IUPAC name of methyl 5-(triazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(triazol-1-yl)pyrazine-2-carboxylate (CID 58449150) is methyl 5-(triazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(triazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(triazol-1-yl)pyrazine-2-carboxylate is COC(=O)c1cnc(-n2ccnn2)cn1.
What is the InChIKey of methyl 5-(triazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is PSDSJMUQJAKEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c1-15-8(14)6-4-10-7(5-9-6)13-3-2-11-12-13/h2-5H,1H3.
What are the key properties of methyl 5-(triazol-1-yl)pyrazine-2-carboxylate?
methyl 5-(triazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 205.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(triazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 58449150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).