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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).