methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C9H9ClN4O2 — CID 16767618

IUPACmethyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCc1cc(Cl)n2nc(C(=O)OC)nc2n1
InChIInChI=1S/C9H9ClN4O2/c1-3-5-4-6(10)14-9(11-5)12-7(13-14)8(15)16-2/h4H,3H2,1-2H3
InChIKeyFNPGGGAPYWZFNL-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.13
Rot. Bonds2

About methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 16767618) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID16767618
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Namemethyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCc1cc(Cl)n2nc(C(=O)OC)nc2n1
InChIInChI=1S/C9H9ClN4O2/c1-3-5-4-6(10)14-9(11-5)12-7(13-14)8(15)16-2/h4H,3H2,1-2H3
InChIKeyFNPGGGAPYWZFNL-UHFFFAOYSA-N
XLogP1.13
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 16767710
methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200385
methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate
CID 66284543
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217
7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine
CID 10822397
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
ethyl 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonate
CID 19989223
methyl 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline-2-carboxylate
CID 103200442
5-chloro-3-ethyl-1-propan-2-ylpyrazole
CID 66020774
2-(5-chloro-3-ethylpyrazol-1-yl)acetic acid
CID 66015514
5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine
CID 112694464

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 16767618) is methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is CCc1cc(Cl)n2nc(C(=O)OC)nc2n1.
What is the InChIKey of methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is FNPGGGAPYWZFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c1-3-5-4-6(10)14-9(11-5)12-7(13-14)8(15)16-2/h4H,3H2,1-2H3.
What are the key properties of methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 240.65 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 16767618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).