N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine

C13H14N4O2 — CID 116823927

IUPACN-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cc3c(cc2C)OCCO3)n1
InChIInChI=1S/C13H14N4O2/c1-8-5-10-11(19-4-3-18-10)6-9(8)13-16-12(14-2)7-15-17-13/h5-7H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyTXCKQJGLLFYTMA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.66
Rot. Bonds2

About N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine

N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine (PubChem CID 116823927) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine
PubChem CID116823927
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cc3c(cc2C)OCCO3)n1
InChIInChI=1S/C13H14N4O2/c1-8-5-10-11(19-4-3-18-10)6-9(8)13-16-12(14-2)7-15-17-13/h5-7H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyTXCKQJGLLFYTMA-UHFFFAOYSA-N
XLogP1.66
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine with MolForge

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Related Compounds

N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 116823971
N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
CID 116827257
ethane;N-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-amine
CID 176977794
4-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carbonitrile
CID 116865137
[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892108
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine
CID 62202609
3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823963
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-thiol
CID 116889667
4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine
CID 82485977
3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823856
N,8-dimethyl-[1,3]dioxolo[4,5-g]quinolin-6-amine
CID 84622210
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963788

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine (CID 116823927) is N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine is CNc1cnnc(-c2cc3c(cc2C)OCCO3)n1.
What is the InChIKey of N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine?
The InChIKey is TXCKQJGLLFYTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-5-10-11(19-4-3-18-10)6-9(8)13-16-12(14-2)7-15-17-13/h5-7H,3-4H2,1-2H3,(H,14,16,17).
What are the key properties of N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine?
N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine has a molecular weight of 258.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).