ethyl 5-methyltriazine-4-carboxylate

C7H9N3O2 — CID 171061874

IUPACethyl 5-methyltriazine-4-carboxylate
SMILESCCOC(=O)c1nnncc1C
InChIInChI=1S/C7H9N3O2/c1-3-12-7(11)6-5(2)4-8-10-9-6/h4H,3H2,1-2H3
InChIKeyHMUQSLUFXRJWSP-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.36
Rot. Bonds2

About ethyl 5-methyltriazine-4-carboxylate

ethyl 5-methyltriazine-4-carboxylate (PubChem CID 171061874) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is ethyl 5-methyltriazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyltriazine-4-carboxylate
PubChem CID171061874
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Nameethyl 5-methyltriazine-4-carboxylate
SMILESCCOC(=O)c1nnncc1C
InChIInChI=1S/C7H9N3O2/c1-3-12-7(11)6-5(2)4-8-10-9-6/h4H,3H2,1-2H3
InChIKeyHMUQSLUFXRJWSP-UHFFFAOYSA-N
XLogP0.36
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 13405303
Methyl 4-methyl-1H-pyrazole-3-carboxylate
CID 3467807
Methyl 1,2,3-triazine-4-carboxylate
CID 15152498
ethyl 4-(aminomethyl)-1H-pyrazole-3-carboxylate hydrochloride
CID 146049737
Ethoxycarbonyltriazine
CID 129795457
ethyl 4-(aminomethyl)-1H-pyrazole-5-carboxylate
CID 89139356
Ethyl 1-amino-4-(trifluoromethyl)pyrazole-5-carboxylate
CID 178171203
methyl 1-amino-4-methyl-1H-pyrazole-5-carboxylate
CID 15152493
Ethyl 4-(azido-methyl)pyrazole-3-carboxylate
CID 129873631
Ethyl 5-methyl-1-oxidotriazin-1-ium-4-carboxylate
CID 177851056
Ethyl 1-fluorosulfanyl-4-methylpyrazole-3-carboxylate
CID 155576664
methyl 1-amino-4-methyl-1H-pyrazole-3-carboxylate
CID 15152486

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyltriazine-4-carboxylate?
The IUPAC name of ethyl 5-methyltriazine-4-carboxylate (CID 171061874) is ethyl 5-methyltriazine-4-carboxylate.
What is the SMILES notation for ethyl 5-methyltriazine-4-carboxylate?
The canonical SMILES for ethyl 5-methyltriazine-4-carboxylate is CCOC(=O)c1nnncc1C.
What is the InChIKey of ethyl 5-methyltriazine-4-carboxylate?
The InChIKey is HMUQSLUFXRJWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-3-12-7(11)6-5(2)4-8-10-9-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 5-methyltriazine-4-carboxylate?
ethyl 5-methyltriazine-4-carboxylate has a molecular weight of 167.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyltriazine-4-carboxylate is sourced from PubChem (CID 171061874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).