pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C10H11N5O2 — CID 61316835

IUPACpyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCc2ccccn2)n1
InChIInChI=1S/C10H11N5O2/c11-10-13-7-15(14-10)5-9(16)17-6-8-3-1-2-4-12-8/h1-4,7H,5-6H2,(H2,11,14)
InChIKeyWQRRJAPDUPBADP-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.00
Rot. Bonds4

About pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 61316835) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID61316835
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Namepyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCc2ccccn2)n1
InChIInChI=1S/C10H11N5O2/c11-10-13-7-15(14-10)5-9(16)17-6-8-3-1-2-4-12-8/h1-4,7H,5-6H2,(H2,11,14)
InChIKeyWQRRJAPDUPBADP-UHFFFAOYSA-N
XLogP-0.00
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-(5-(pyridin-2-yl)-1h-tetrazol-1-yl)acetate
CID 67707613
2-(3-fluoro-2-pyridinyl)ethyl 1H-1,2,4-triazole-5-carboxylate
CID 175470386
{3-(2-methoxyethyl)-5-[6-(methoxymethyl)pyridin-2-yl]-1H-1,2,4-triazol-1-yl}acetic acid
CID 72839392
Pyridin-2-ylmethyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 18169812
Ethyl 5-(5-fluoro-2-pyridinyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 104643070
(5-Fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 114084637
5-[2-(pyridin-2-ylmethoxy)ethyl]-1H-1,2,4-triazol-3-amine
CID 12875776
Ethyl 1-(2-pyridin-2-ylethyl)tetrazole-5-carboxylate
CID 54100479
(6-Pyrazol-1-yl-2-pyridinyl)methyl carbamate
CID 58996350
pyridin-2-ylmethyl (Z)-3-[3-(3-chlorocyclohexa-1,5-dien-1-yl)-1,2,4-triazol-1-yl]prop-2-enoate
CID 68247179
[(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 68514541
[(2R,4S)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 68515338

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 61316835) is pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is Nc1ncn(CC(=O)OCc2ccccn2)n1.
What is the InChIKey of pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is WQRRJAPDUPBADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-10-13-7-15(14-10)5-9(16)17-6-8-3-1-2-4-12-8/h1-4,7H,5-6H2,(H2,11,14).
What are the key properties of pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 233.23 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 61316835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).