ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate

C14H20N6O2 — CID 5309655

IUPACethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C)nc3nc(C)nn23)CC1
InChIInChI=1S/C14H20N6O2/c1-4-22-14(21)19-7-5-18(6-8-19)12-9-10(2)15-13-16-11(3)17-20(12)13/h9H,4-8H2,1-3H3
InChIKeyWMUQQIGQASCBBD-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.02
Rot. Bonds2

About ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate

ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate (PubChem CID 5309655) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
PubChem CID5309655
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Nameethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C)nc3nc(C)nn23)CC1
InChIInChI=1S/C14H20N6O2/c1-4-22-14(21)19-7-5-18(6-8-19)12-9-10(2)15-13-16-11(3)17-20(12)13/h9H,4-8H2,1-3H3
InChIKeyWMUQQIGQASCBBD-UHFFFAOYSA-N
XLogP1.02
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
CID 46262804
ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
CID 4179581
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548
ethyl 4-[2-(diethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923272
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122174844
2-(4-fluorophenoxy)-1-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 78898954
ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 107876806
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858
ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
CID 20961762
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-imidazo[1,2-b][1,2,4,5]tetrazin-3-ylpiperazine-1-carboxylate
CID 3716660

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate (CID 5309655) is ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C)nc3nc(C)nn23)CC1.
What is the InChIKey of ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate?
The InChIKey is WMUQQIGQASCBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-4-22-14(21)19-7-5-18(6-8-19)12-9-10(2)15-13-16-11(3)17-20(12)13/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate?
ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate is sourced from PubChem (CID 5309655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).