3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine

C12H18N6 — CID 139296107

IUPAC3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCC1CCCC(n2nnc3c(N)ncnc32)C1
InChIInChI=1S/C12H18N6/c1-2-8-4-3-5-9(6-8)18-12-10(16-17-18)11(13)14-7-15-12/h7-9H,2-6H2,1H3,(H2,13,14,15)
InChIKeyATCVZZPMJXIWRT-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.94
Rot. Bonds2

About 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine

3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 139296107) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID139296107
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCCC1CCCC(n2nnc3c(N)ncnc32)C1
InChIInChI=1S/C12H18N6/c1-2-8-4-3-5-9(6-8)18-12-10(16-17-18)11(13)14-7-15-12/h7-9H,2-6H2,1H3,(H2,13,14,15)
InChIKeyATCVZZPMJXIWRT-UHFFFAOYSA-N
XLogP1.94
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 138684267
3-[3-(phenoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
CID 139295533
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
CID 90792997
3-[3-(phenylmethoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
CID 139295787
1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine
CID 79543288
1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine
CID 114420063
7-chloro-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]triazolo[4,5-d]pyrimidine
CID 138684321
5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole
CID 64743405
3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 146204459
3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
CID 142638159
3-[(1S,2R,6R)-2,3-dimethyl-6-prop-1-en-2-ylcycloheptyl]triazolo[4,5-d]pyrimidin-7-amine
CID 139314150
(2R,3R,5S)-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-5-[(E)-3-methylbut-1-enyl]oxolan-3-ol
CID 59289225

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine (CID 139296107) is 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine is CCC1CCCC(n2nnc3c(N)ncnc32)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ATCVZZPMJXIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-8-4-3-5-9(6-8)18-12-10(16-17-18)11(13)14-7-15-12/h7-9H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine?
3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 246.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 139296107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).