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

C14H13N5O2 — CID 666764

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)OCCO3)n2ncnc2n1
InChIInChI=1S/C14H13N5O2/c1-9-6-13(19-14(17-9)15-8-16-19)18-10-2-3-11-12(7-10)21-5-4-20-11/h2-3,6-8,18H,4-5H2,1H3
InChIKeyBCIUTCOIWNUOCL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.95
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 666764) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID666764
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)OCCO3)n2ncnc2n1
InChIInChI=1S/C14H13N5O2/c1-9-6-13(19-14(17-9)15-8-16-19)18-10-2-3-11-12(7-10)21-5-4-20-11/h2-3,6-8,18H,4-5H2,1H3
InChIKeyBCIUTCOIWNUOCL-UHFFFAOYSA-N
XLogP1.95
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.95
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)-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)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 666764) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-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)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc3c(c2)OCCO3)n2ncnc2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BCIUTCOIWNUOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9-6-13(19-14(17-9)15-8-16-19)18-10-2-3-11-12(7-10)21-5-4-20-11/h2-3,6-8,18H,4-5H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 283.29 g/mol, XLogP of 1.95, 2 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)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 666764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).