ethyl 1,3,5-triazine-2-carboxylate

C6H7N3O2 — CID 23260906

IUPACethyl 1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1ncncn1
InChIInChI=1S/C6H7N3O2/c1-2-11-6(10)5-8-3-7-4-9-5/h3-4H,2H2,1H3
InChIKeyMYSAUBXZHRJRML-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.05
Rot. Bonds2

About ethyl 1,3,5-triazine-2-carboxylate

ethyl 1,3,5-triazine-2-carboxylate (PubChem CID 23260906) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is ethyl 1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,3,5-triazine-2-carboxylate
PubChem CID23260906
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Nameethyl 1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1ncncn1
InChIInChI=1S/C6H7N3O2/c1-2-11-6(10)5-8-3-7-4-9-5/h3-4H,2H2,1H3
InChIKeyMYSAUBXZHRJRML-UHFFFAOYSA-N
XLogP0.05
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 163395737
CID 163395737
diethyl pyrimidine-4,5-dicarboxylate
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(2-ethoxycarbonylpyrimidin-5-yl)boronic acid
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ethyl 4-cyclopropylpyrimidine-5-carboxylate
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ethyl 1,3-selenazole-5-carboxylate
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ethyl 1,2,4-oxadiazole-5-carboxylate
CID 21498811
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate
CID 90194836
ethyl 4-tert-butylpyrimidine-2-carboxylate
CID 71290698
iodomethyl 5-methylpyrimidine-2-carboxylate
CID 171833423
ethyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 71304242
ethyl 1-(2-methoxypropan-2-yl)-1,2,4-triazole-3-carboxylate
CID 20744905

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3,5-triazine-2-carboxylate?
The IUPAC name of ethyl 1,3,5-triazine-2-carboxylate (CID 23260906) is ethyl 1,3,5-triazine-2-carboxylate.
What is the SMILES notation for ethyl 1,3,5-triazine-2-carboxylate?
The canonical SMILES for ethyl 1,3,5-triazine-2-carboxylate is CCOC(=O)c1ncncn1.
What is the InChIKey of ethyl 1,3,5-triazine-2-carboxylate?
The InChIKey is MYSAUBXZHRJRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-2-11-6(10)5-8-3-7-4-9-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 1,3,5-triazine-2-carboxylate?
ethyl 1,3,5-triazine-2-carboxylate has a molecular weight of 153.14 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 23260906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).