methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C11H8ClN5O2 — CID 136702693

IUPACmethyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nnc(-c3cn[nH]c3)n2c1
InChIInChI=1S/C11H8ClN5O2/c1-19-11(18)6-2-8(12)10-16-15-9(17(10)5-6)7-3-13-14-4-7/h2-5H,1H3,(H,13,14)
InChIKeyFWFMJSFAXWNPQL-UHFFFAOYSA-N
MW277.67 g/mol
LogP1.56
Rot. Bonds2

About methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 136702693) has the molecular formula C11H8ClN5O2 and a molecular weight of 277.67 g/mol. Its IUPAC name is methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID136702693
Molecular FormulaC11H8ClN5O2
Molecular Weight277.67 g/mol
Exact Mass277.04
IUPAC Namemethyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nnc(-c3cn[nH]c3)n2c1
InChIInChI=1S/C11H8ClN5O2/c1-19-11(18)6-2-8(12)10-16-15-9(17(10)5-6)7-3-13-14-4-7/h2-5H,1H3,(H,13,14)
InChIKeyFWFMJSFAXWNPQL-UHFFFAOYSA-N
XLogP1.56
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 136702693) is methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is COC(=O)c1cc(Cl)c2nnc(-c3cn[nH]c3)n2c1.
What is the InChIKey of methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is FWFMJSFAXWNPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O2/c1-19-11(18)6-2-8(12)10-16-15-9(17(10)5-6)7-3-13-14-4-7/h2-5H,1H3,(H,13,14).
What are the key properties of methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 277.67 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 136702693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).