ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate

C16H13N5O2 — CID 23555913

IUPACethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccccn2)c(-c2ccccn2)n1
InChIInChI=1S/C16H13N5O2/c1-2-23-16(22)15-19-13(11-7-3-5-9-17-11)14(20-21-15)12-8-4-6-10-18-12/h3-10H,2H2,1H3
InChIKeyMUCFRFAXWXFBOW-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.17
Rot. Bonds4

About ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate

ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate (PubChem CID 23555913) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate
PubChem CID23555913
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Nameethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccccn2)c(-c2ccccn2)n1
InChIInChI=1S/C16H13N5O2/c1-2-23-16(22)15-19-13(11-7-3-5-9-17-11)14(20-21-15)12-8-4-6-10-18-12/h3-10H,2H2,1H3
InChIKeyMUCFRFAXWXFBOW-UHFFFAOYSA-N
XLogP2.17
TPSA90.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate?
The IUPAC name of ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate (CID 23555913) is ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate.
What is the SMILES notation for ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate?
The canonical SMILES for ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate is CCOC(=O)c1nnc(-c2ccccn2)c(-c2ccccn2)n1.
What is the InChIKey of ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate?
The InChIKey is MUCFRFAXWXFBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-2-23-16(22)15-19-13(11-7-3-5-9-17-11)14(20-21-15)12-8-4-6-10-18-12/h3-10H,2H2,1H3.
What are the key properties of ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate?
ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-dipyridin-2-yl-1,2,4-triazine-3-carboxylate is sourced from PubChem (CID 23555913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).