N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine

C12H12N4O2 — CID 116823971

IUPACN-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cc3c(cc2C)OCO3)n1
InChIInChI=1S/C12H12N4O2/c1-7-3-9-10(18-6-17-9)4-8(7)12-15-11(13-2)5-14-16-12/h3-5H,6H2,1-2H3,(H,13,15,16)
InChIKeyQDYZCEKHEXWFRI-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.62
Rot. Bonds2

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

N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine (PubChem CID 116823971) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
PubChem CID116823971
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cc3c(cc2C)OCO3)n1
InChIInChI=1S/C12H12N4O2/c1-7-3-9-10(18-6-17-9)4-8(7)12-15-11(13-2)5-14-16-12/h3-5H,6H2,1-2H3,(H,13,15,16)
InChIKeyQDYZCEKHEXWFRI-UHFFFAOYSA-N
XLogP1.62
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine
CID 116823927
N,8-dimethyl-[1,3]dioxolo[4,5-g]quinolin-6-amine
CID 84622210
N-methyl-1-[2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanamine
CID 116868246
N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
CID 116827257
3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823963
2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine
CID 116897393
5-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)-1,3-oxazol-2-amine
CID 116831874
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 116869000
[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 116868184
[5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine
CID 116884195
[2-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-4-yl]methanamine
CID 116857676
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966583

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine (CID 116823971) is N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine is CNc1cnnc(-c2cc3c(cc2C)OCO3)n1.
What is the InChIKey of N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine?
The InChIKey is QDYZCEKHEXWFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7-3-9-10(18-6-17-9)4-8(7)12-15-11(13-2)5-14-16-12/h3-5H,6H2,1-2H3,(H,13,15,16).
What are the key properties of N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine?
N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine has a molecular weight of 244.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).