methyl 1-pyridin-2-yltriazole-4-carboxylate

C9H8N4O2 — CID 11310214

IUPACmethyl 1-pyridin-2-yltriazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccccn2)nn1
InChIInChI=1S/C9H8N4O2/c1-15-9(14)7-6-13(12-11-7)8-4-2-3-5-10-8/h2-6H,1H3
InChIKeyUPCLKLKFVIBJOV-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.45
Rot. Bonds2

About methyl 1-pyridin-2-yltriazole-4-carboxylate

methyl 1-pyridin-2-yltriazole-4-carboxylate (PubChem CID 11310214) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 1-pyridin-2-yltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-pyridin-2-yltriazole-4-carboxylate
PubChem CID11310214
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Namemethyl 1-pyridin-2-yltriazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccccn2)nn1
InChIInChI=1S/C9H8N4O2/c1-15-9(14)7-6-13(12-11-7)8-4-2-3-5-10-8/h2-6H,1H3
InChIKeyUPCLKLKFVIBJOV-UHFFFAOYSA-N
XLogP0.45
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-pyridin-2-yltriazole-4-carboxylate?
The IUPAC name of methyl 1-pyridin-2-yltriazole-4-carboxylate (CID 11310214) is methyl 1-pyridin-2-yltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-pyridin-2-yltriazole-4-carboxylate?
The canonical SMILES for methyl 1-pyridin-2-yltriazole-4-carboxylate is COC(=O)c1cn(-c2ccccn2)nn1.
What is the InChIKey of methyl 1-pyridin-2-yltriazole-4-carboxylate?
The InChIKey is UPCLKLKFVIBJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-15-9(14)7-6-13(12-11-7)8-4-2-3-5-10-8/h2-6H,1H3.
What are the key properties of methyl 1-pyridin-2-yltriazole-4-carboxylate?
methyl 1-pyridin-2-yltriazole-4-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pyridin-2-yltriazole-4-carboxylate is sourced from PubChem (CID 11310214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).