[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine

C11H15N5O — CID 113310203

IUPAC[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nnc3ncccn23)CCOCC1
InChIInChI=1S/C11H15N5O/c12-8-11(2-6-17-7-3-11)9-14-15-10-13-4-1-5-16(9)10/h1,4-5H,2-3,6-8,12H2
InChIKeyCBDYVXQFABPAIN-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.13
Rot. Bonds2

About [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine

[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine (PubChem CID 113310203) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine
PubChem CID113310203
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nnc3ncccn23)CCOCC1
InChIInChI=1S/C11H15N5O/c12-8-11(2-6-17-7-3-11)9-14-15-10-13-4-1-5-16(9)10/h1,4-5H,2-3,6-8,12H2
InChIKeyCBDYVXQFABPAIN-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine (CID 113310203) is [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine is NCC1(c2nnc3ncccn23)CCOCC1.
What is the InChIKey of [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine?
The InChIKey is CBDYVXQFABPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-8-11(2-6-17-7-3-11)9-14-15-10-13-4-1-5-16(9)10/h1,4-5H,2-3,6-8,12H2.
What are the key properties of [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine?
[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 113310203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).