7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C17H19N5O2 — CID 23111606

IUPAC7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nccc(-c3ccc(OCC4CCOCC4)cc3)n2n1
InChIInChI=1S/C17H19N5O2/c18-16-20-17-19-8-5-15(22(17)21-16)13-1-3-14(4-2-13)24-11-12-6-9-23-10-7-12/h1-5,8,12H,6-7,9-11H2,(H2,18,21)
InChIKeyBMXOJYAPXBQOPY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.18
Rot. Bonds4

About 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 23111606) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID23111606
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2nccc(-c3ccc(OCC4CCOCC4)cc3)n2n1
InChIInChI=1S/C17H19N5O2/c18-16-20-17-19-8-5-15(22(17)21-16)13-1-3-14(4-2-13)24-11-12-6-9-23-10-7-12/h1-5,8,12H,6-7,9-11H2,(H2,18,21)
InChIKeyBMXOJYAPXBQOPY-UHFFFAOYSA-N
XLogP2.18
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 23111606) is 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2nccc(-c3ccc(OCC4CCOCC4)cc3)n2n1.
What is the InChIKey of 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BMXOJYAPXBQOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c18-16-20-17-19-8-5-15(22(17)21-16)13-1-3-14(4-2-13)24-11-12-6-9-23-10-7-12/h1-5,8,12H,6-7,9-11H2,(H2,18,21).
What are the key properties of 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 325.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(oxan-4-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 23111606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).