ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate

C10H12N4O2 — CID 45097652

IUPACethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)C1=Nc2cccnc2N(C)N1
InChIInChI=1S/C10H12N4O2/c1-3-16-10(15)8-12-7-5-4-6-11-9(7)14(2)13-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyBIGSTXLJZHGMRE-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.63
Rot. Bonds2

About ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate

ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate (PubChem CID 45097652) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate
PubChem CID45097652
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Nameethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)C1=Nc2cccnc2N(C)N1
InChIInChI=1S/C10H12N4O2/c1-3-16-10(15)8-12-7-5-4-6-11-9(7)14(2)13-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyBIGSTXLJZHGMRE-UHFFFAOYSA-N
XLogP0.63
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate (CID 45097652) is ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate is CCOC(=O)C1=Nc2cccnc2N(C)N1.
What is the InChIKey of ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate?
The InChIKey is BIGSTXLJZHGMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-3-16-10(15)8-12-7-5-4-6-11-9(7)14(2)13-8/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate?
ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2H-pyrido[3,2-e][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 45097652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).