5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C11H15N5O — CID 68590968

IUPAC5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2ccnc(CC3CCOCC3)n2n1
InChIInChI=1S/C11H15N5O/c12-11-14-9-1-4-13-10(16(9)15-11)7-8-2-5-17-6-3-8/h1,4,8H,2-3,5-7H2,(H2,12,15)
InChIKeySOESQELIZPAVNE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.68
Rot. Bonds2

About 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 68590968) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID68590968
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2ccnc(CC3CCOCC3)n2n1
InChIInChI=1S/C11H15N5O/c12-11-14-9-1-4-13-10(16(9)15-11)7-8-2-5-17-6-3-8/h1,4,8H,2-3,5-7H2,(H2,12,15)
InChIKeySOESQELIZPAVNE-UHFFFAOYSA-N
XLogP0.68
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 68590968) is 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Nc1nc2ccnc(CC3CCOCC3)n2n1.
What is the InChIKey of 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is SOESQELIZPAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-11-14-9-1-4-13-10(16(9)15-11)7-8-2-5-17-6-3-8/h1,4,8H,2-3,5-7H2,(H2,12,15).
What are the key properties of 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 233.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 68590968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).