N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H17N5O2 — CID 22432340

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc4c(c3)OCCO4)n2n1
InChIInChI=1S/C16H17N5O2/c1-3-14-19-16-17-10(2)8-15(21(16)20-14)18-11-4-5-12-13(9-11)23-7-6-22-12/h4-5,8-9,18H,3,6-7H2,1-2H3
InChIKeyIJRIKKYLROLIIT-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.51
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22432340) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22432340
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc4c(c3)OCCO4)n2n1
InChIInChI=1S/C16H17N5O2/c1-3-14-19-16-17-10(2)8-15(21(16)20-14)18-11-4-5-12-13(9-11)23-7-6-22-12/h4-5,8-9,18H,3,6-7H2,1-2H3
InChIKeyIJRIKKYLROLIIT-UHFFFAOYSA-N
XLogP2.51
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22432340) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2nc(C)cc(Nc3ccc4c(c3)OCCO4)n2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IJRIKKYLROLIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-14-19-16-17-10(2)8-15(21(16)20-14)18-11-4-5-12-13(9-11)23-7-6-22-12/h4-5,8-9,18H,3,6-7H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22432340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).