3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine

C15H22N6 — CID 70684672

IUPAC3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
SMILESC[C@@H](C1CCCCC1)n1nnc2c(N)nc(C3CC3)nc21
InChIInChI=1S/C15H22N6/c1-9(10-5-3-2-4-6-10)21-15-12(19-20-21)13(16)17-14(18-15)11-7-8-11/h9-11H,2-8H2,1H3,(H2,16,17,18)/t9-/m0/s1
InChIKeyKOZQQSVTCFPIOX-VIFPVBQESA-N
MW286.38 g/mol
LogP2.82
Rot. Bonds3

About 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine

3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70684672) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID70684672
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
SMILESC[C@@H](C1CCCCC1)n1nnc2c(N)nc(C3CC3)nc21
InChIInChI=1S/C15H22N6/c1-9(10-5-3-2-4-6-10)21-15-12(19-20-21)13(16)17-14(18-15)11-7-8-11/h9-11H,2-8H2,1H3,(H2,16,17,18)/t9-/m0/s1
InChIKeyKOZQQSVTCFPIOX-VIFPVBQESA-N
XLogP2.82
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-3-(oxan-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 70684643
5-Cyclopropyl-3-(oxan-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 70693101
4-Methyl-1-{3-methyl-3H-[1,2,3]triazolo[4,5-D]pyrimidin-7-YL}piperidine
CID 7424084
9-(Cyclohexylmethyl)-6-(dimethylamino)-9H-purine
CID 14022439
[(1R,2S)-2-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)cyclohexyl]methanol
CID 44421167
N-cyclohexyl-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7192836
N-cyclohexyl-3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7584402
N-cyclododecyl-3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7584411
3-Methyl-7-(3-methylpiperidino)-3H-[1,2,3]triazolo[4,5-D]pyrimidine
CID 16032289
3-cyclohexyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 90792997
N-cycloheptyl-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7424135
5-tert-Butyl-2-cyclohexylmethyl-7-(3,3-difluoro-pyrrolidin-1-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 71576354

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine (CID 70684672) is 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine is C[C@@H](C1CCCCC1)n1nnc2c(N)nc(C3CC3)nc21.
What is the InChIKey of 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KOZQQSVTCFPIOX-VIFPVBQESA-N. The full InChI is InChI=1S/C15H22N6/c1-9(10-5-3-2-4-6-10)21-15-12(19-20-21)13(16)17-14(18-15)11-7-8-11/h9-11H,2-8H2,1H3,(H2,16,17,18)/t9-/m0/s1.
What are the key properties of 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine?
3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 286.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70684672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).