3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine

C12H18N6 — CID 7584319

IUPAC3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine
SMILESCCn1nnc2c(N3CCCC[C@@H]3C)ncnc21
InChIInChI=1S/C12H18N6/c1-3-18-12-10(15-16-18)11(13-8-14-12)17-7-5-4-6-9(17)2/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYSNBVXHEQOTDQQ-VIFPVBQESA-N
MW246.32 g/mol
LogP1.62
Rot. Bonds2

About 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine

3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine (PubChem CID 7584319) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine
PubChem CID7584319
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine
SMILESCCn1nnc2c(N3CCCC[C@@H]3C)ncnc21
InChIInChI=1S/C12H18N6/c1-3-18-12-10(15-16-18)11(13-8-14-12)17-7-5-4-6-9(17)2/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYSNBVXHEQOTDQQ-VIFPVBQESA-N
XLogP1.62
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7584344
7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine
CID 167912758
2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 18584562
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide
CID 72717262
3,4-dihydro-2H-quinolin-1-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557715
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 7584336
N-ethyl-6-(2-methylpiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 80767567
(3R,6R)-1-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)-6-methylpiperidin-3-ol
CID 138018775
6-(2-methylpiperidin-1-yl)-7H-purine
CID 131955162

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine?
The IUPAC name of 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine (CID 7584319) is 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine is CCn1nnc2c(N3CCCC[C@@H]3C)ncnc21.
What is the InChIKey of 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine?
The InChIKey is YSNBVXHEQOTDQQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N6/c1-3-18-12-10(15-16-18)11(13-8-14-12)17-7-5-4-6-9(17)2/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine?
3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine has a molecular weight of 246.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 7584319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).