3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine

C10H14N6 — CID 90792997

IUPAC3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2c1nnn2C1CCCCC1
InChIInChI=1S/C10H14N6/c11-9-8-10(13-6-12-9)16(15-14-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13)
InChIKeyFJYYQQJRAMYZPG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.31
Rot. Bonds1

About 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine

3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90792997) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID90792997
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2c1nnn2C1CCCCC1
InChIInChI=1S/C10H14N6/c11-9-8-10(13-6-12-9)16(15-14-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13)
InChIKeyFJYYQQJRAMYZPG-UHFFFAOYSA-N
XLogP1.31
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine (CID 90792997) is 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine is Nc1ncnc2c1nnn2C1CCCCC1.
What is the InChIKey of 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FJYYQQJRAMYZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-9-8-10(13-6-12-9)16(15-14-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13).
What are the key properties of 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine?
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 218.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90792997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).