ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

C10H10N4O2 — CID 2766805

IUPACethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C10H10N4O2/c1-2-16-10(15)8-3-4-9(12-5-8)14-7-11-6-13-14/h3-7H,2H2,1H3
InChIKeyZEQVEQQZDLZCAX-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.84
Rot. Bonds3

About ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate (PubChem CID 2766805) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
PubChem CID2766805
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Nameethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C10H10N4O2/c1-2-16-10(15)8-3-4-9(12-5-8)14-7-11-6-13-14/h3-7H,2H2,1H3
InChIKeyZEQVEQQZDLZCAX-UHFFFAOYSA-N
XLogP0.84
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Etazolate
CID 3277
Etazolate Hydrochloride
CID 37274
Cartazolate
CID 37015
Methyl 6-aminonicotinate
CID 737487
ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
CID 742041
(1,2,3,4)Tetrazolo(1,5-a)pyridine-8-carboxylic acid
CID 346464
Methyl 2-aminopyridine-3-carboxylate
CID 351633
6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
Ethyl 2-aminopyridine-3-carboxylate
CID 12433260
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
Prop-2-enyl 4-amino-6-methyl-1-pent-4-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9994975
Ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10016303

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate (CID 2766805) is ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-n2cncn2)nc1.
What is the InChIKey of ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate?
The InChIKey is ZEQVEQQZDLZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-2-16-10(15)8-3-4-9(12-5-8)14-7-11-6-13-14/h3-7H,2H2,1H3.
What are the key properties of ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate?
ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate has a molecular weight of 218.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 2766805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).