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

C11H16N6 — CID 138684267

IUPAC3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC1CCCC(n2nnc3c(N)ncnc32)C1
InChIInChI=1S/C11H16N6/c1-7-3-2-4-8(5-7)17-11-9(15-16-17)10(12)13-6-14-11/h6-8H,2-5H2,1H3,(H2,12,13,14)
InChIKeyLHYVJFOFOALQIT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.55
Rot. Bonds1

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

3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 138684267) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID138684267
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC1CCCC(n2nnc3c(N)ncnc32)C1
InChIInChI=1S/C11H16N6/c1-7-3-2-4-8(5-7)17-11-9(15-16-17)10(12)13-6-14-11/h6-8H,2-5H2,1H3,(H2,12,13,14)
InChIKeyLHYVJFOFOALQIT-UHFFFAOYSA-N
XLogP1.55
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine (CID 138684267) is 3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine is CC1CCCC(n2nnc3c(N)ncnc32)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LHYVJFOFOALQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-3-2-4-8(5-7)17-11-9(15-16-17)10(12)13-6-14-11/h6-8H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine?
3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 232.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 138684267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).