N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H11N5O2 — CID 22431257

IUPACN-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)OCO3)n2ncnc2n1
InChIInChI=1S/C13H11N5O2/c1-8-4-12(18-13(16-8)14-6-15-18)17-9-2-3-10-11(5-9)20-7-19-10/h2-6,17H,7H2,1H3
InChIKeyMFFBVLFWPMYFQD-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.91
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22431257) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22431257
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)OCO3)n2ncnc2n1
InChIInChI=1S/C13H11N5O2/c1-8-4-12(18-13(16-8)14-6-15-18)17-9-2-3-10-11(5-9)20-7-19-10/h2-6,17H,7H2,1H3
InChIKeyMFFBVLFWPMYFQD-UHFFFAOYSA-N
XLogP1.91
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22431257) is N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc3c(c2)OCO3)n2ncnc2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MFFBVLFWPMYFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8-4-12(18-13(16-8)14-6-15-18)17-9-2-3-10-11(5-9)20-7-19-10/h2-6,17H,7H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 269.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22431257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).