3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine

C12H20N6 — CID 7584299

IUPAC3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCCN(CCC)c1ncnc2c1nnn2CC
InChIInChI=1S/C12H20N6/c1-4-7-17(8-5-2)11-10-12(14-9-13-11)18(6-3)16-15-10/h9H,4-8H2,1-3H3
InChIKeyNUFUCCIEXRWNIZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.87
Rot. Bonds6

About 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine

3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584299) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584299
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCCN(CCC)c1ncnc2c1nnn2CC
InChIInChI=1S/C12H20N6/c1-4-7-17(8-5-2)11-10-12(14-9-13-11)18(6-3)16-15-10/h9H,4-8H2,1-3H3
InChIKeyNUFUCCIEXRWNIZ-UHFFFAOYSA-N
XLogP1.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.87
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
3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584373
N-(2,3-dimethylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584496
N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584493
N-(4-bromo-3-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584515
N-(5-chloro-2-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584508
N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424077
N-[4-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]acetamide
CID 7584534
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
3-[(2-chlorophenyl)methyl]-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine
CID 19767721

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine (CID 7584299) is 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine is CCCN(CCC)c1ncnc2c1nnn2CC.
What is the InChIKey of 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is NUFUCCIEXRWNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-4-7-17(8-5-2)11-10-12(14-9-13-11)18(6-3)16-15-10/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine?
3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 248.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).