(5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C10H10FN5O2 — CID 114084637

IUPAC(5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCc2cncc(F)c2)n1
InChIInChI=1S/C10H10FN5O2/c11-8-1-7(2-13-3-8)5-18-9(17)4-16-6-14-10(12)15-16/h1-3,6H,4-5H2,(H2,12,15)
InChIKeyFPSBDMCRQZPCGY-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.14
Rot. Bonds4

About (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

(5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 114084637) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID114084637
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name(5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCc2cncc(F)c2)n1
InChIInChI=1S/C10H10FN5O2/c11-8-1-7(2-13-3-8)5-18-9(17)4-16-6-14-10(12)15-16/h1-3,6H,4-5H2,(H2,12,15)
InChIKeyFPSBDMCRQZPCGY-UHFFFAOYSA-N
XLogP0.14
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-Fluoro-6-(tetrazol-1-yl)-3-pyridinyl]methyl formate
CID 117693879
3-Fluoro-5-(methoxymethyl)-2-(tetrazol-1-yl)pyridine
CID 130450944
8-Fluoro-6-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 177186662
(5-Fluoro-3-pyridinyl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 105571358
Ethyl 5-(5-fluoro-3-pyridinyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 113452951
3-[2-(1,2,4-Triazol-1-ylmethyl)-1,3-dioxol-2-yl]pyridine
CID 141112247
Ethane;8-fluoro-6-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 177186661
2-Pyridin-3-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 55170173
Ethyl 5-(2-methoxy-3-pyridinyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55184011
Pyridin-4-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61315502
2-Pyridin-4-ylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61316460
Pyridin-2-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61316835

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 114084637) is (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is Nc1ncn(CC(=O)OCc2cncc(F)c2)n1.
What is the InChIKey of (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is FPSBDMCRQZPCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c11-8-1-7(2-13-3-8)5-18-9(17)4-16-6-14-10(12)15-16/h1-3,6H,4-5H2,(H2,12,15).
What are the key properties of (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
(5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 251.22 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 114084637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).