3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine

C12H19N7 — CID 7584344

IUPAC3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
SMILESCCN1CCN(c2ncnc3c2nnn3CC)CC1
InChIInChI=1S/C12H19N7/c1-3-17-5-7-18(8-6-17)11-10-12(14-9-13-11)19(4-2)16-15-10/h9H,3-8H2,1-2H3
InChIKeyIMODAUIKIWOJEF-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.38
Rot. Bonds3

About 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine

3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine (PubChem CID 7584344) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
PubChem CID7584344
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
SMILESCCN1CCN(c2ncnc3c2nnn3CC)CC1
InChIInChI=1S/C12H19N7/c1-3-17-5-7-18(8-6-17)11-10-12(14-9-13-11)19(4-2)16-15-10/h9H,3-8H2,1-2H3
InChIKeyIMODAUIKIWOJEF-UHFFFAOYSA-N
XLogP0.38
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 7584336
3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine
CID 7584319
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
3-benzyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 1446155
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide
CID 72717262
3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7424099
3-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 167821576
3-butyl-7-(3,3,4,4-tetrafluoropyrrolidin-1-yl)triazolo[4,5-d]pyrimidine
CID 151928924
4-chloro-5-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidine
CID 55229676
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557670
N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557810

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine?
The IUPAC name of 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine (CID 7584344) is 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine is CCN1CCN(c2ncnc3c2nnn3CC)CC1.
What is the InChIKey of 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine?
The InChIKey is IMODAUIKIWOJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-3-17-5-7-18(8-6-17)11-10-12(14-9-13-11)19(4-2)16-15-10/h9H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine?
3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine has a molecular weight of 261.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 7584344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).