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

C15H15N5O2 — CID 5308994

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)OCCO3)n2nc(C)nc2n1
InChIInChI=1S/C15H15N5O2/c1-9-7-14(20-15(16-9)17-10(2)19-20)18-11-3-4-12-13(8-11)22-6-5-21-12/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyNJKIPLSCKQBODT-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.26
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5308994) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5308994
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)OCCO3)n2nc(C)nc2n1
InChIInChI=1S/C15H15N5O2/c1-9-7-14(20-15(16-9)17-10(2)19-20)18-11-3-4-12-13(8-11)22-6-5-21-12/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyNJKIPLSCKQBODT-UHFFFAOYSA-N
XLogP2.26
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
CID 132021720
N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71595131
8,9-dimethoxy-N-(3-methoxypropyl)-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010874
N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 522990
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine
CID 658308
N-(benzo[d][1,3]dioxol-5-yl)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407245
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 666764
2-{[1-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1,2,3,4-tetrazol-5-YL]sulfanyl}-N-(6-methylpyridin-2-YL)acetamide
CID 1175667
N-1,3-benzodioxol-5-yl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088501
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2458272
2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307761
N-(4-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308128

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5308994) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[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)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc3c(c2)OCCO3)n2nc(C)nc2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NJKIPLSCKQBODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-7-14(20-15(16-9)17-10(2)19-20)18-11-3-4-12-13(8-11)22-6-5-21-12/h3-4,7-8,18H,5-6H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.32 g/mol, XLogP of 2.26, 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)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5308994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).