methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate

C11H13N5O2 — CID 163289760

IUPACmethyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate
SMILESCOC(=O)CCc1nc(-c2cnccn2)n(C)n1
InChIInChI=1S/C11H13N5O2/c1-16-11(8-7-12-5-6-13-8)14-9(15-16)3-4-10(17)18-2/h5-7H,3-4H2,1-2H3
InChIKeyIQTCBYRMJOYZAX-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.38
Rot. Bonds4

About methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate

methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate (PubChem CID 163289760) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate
PubChem CID163289760
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Namemethyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate
SMILESCOC(=O)CCc1nc(-c2cnccn2)n(C)n1
InChIInChI=1S/C11H13N5O2/c1-16-11(8-7-12-5-6-13-8)14-9(15-16)3-4-10(17)18-2/h5-7H,3-4H2,1-2H3
InChIKeyIQTCBYRMJOYZAX-UHFFFAOYSA-N
XLogP0.38
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 645359
(5-Pyrazin-2-yltetrazol-2-yl)methyl 2,2-dimethylpropanoate
CID 482255
(5-Pyrazin-2-yltetrazol-1-yl)methyl 2,2-dimethylpropanoate
CID 482256
ethyl 2-(3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl)acetate
CID 39860347
ethyl [3-(pyrazin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate
CID 8033812
2-Methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carbaldehyde
CID 58764292
2-(2-Propan-2-yl-1,2,4-triazol-3-yl)pyrazine
CID 67734794
Methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate
CID 86163737
2-(2-Ethyl-1,2,4-triazol-3-yl)pyrazine
CID 91493255
2-Methyl-5-pyrazin-2-yl-2h-[1,2,4]triazole-3-carbaldehyde dihydrochloride monohydrate
CID 131726170
2-Methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carbaldehyde;dihydrochloride
CID 140104218
2-(1-Ethyl-1,2,4-triazol-3-yl)pyrazine
CID 141290959

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate?
The IUPAC name of methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate (CID 163289760) is methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate?
The canonical SMILES for methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate is COC(=O)CCc1nc(-c2cnccn2)n(C)n1.
What is the InChIKey of methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate?
The InChIKey is IQTCBYRMJOYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-11(8-7-12-5-6-13-8)14-9(15-16)3-4-10(17)18-2/h5-7H,3-4H2,1-2H3.
What are the key properties of methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate?
methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate has a molecular weight of 247.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate is sourced from PubChem (CID 163289760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).