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

C9H10N4S — CID 116823253

IUPACN-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1sccc1C
InChIInChI=1S/C9H10N4S/c1-6-3-4-14-8(6)7-9(10-2)11-5-12-13-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyPRLDWQOWCMNMBI-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.95
Rot. Bonds2

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

N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine (PubChem CID 116823253) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine
PubChem CID116823253
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC NameN-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1sccc1C
InChIInChI=1S/C9H10N4S/c1-6-3-4-14-8(6)7-9(10-2)11-5-12-13-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyPRLDWQOWCMNMBI-UHFFFAOYSA-N
XLogP1.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-amine
CID 116823117
N-methyl-6-(2,3,5,6-tetramethylphenyl)-1,2,4-triazin-5-amine
CID 116823157
6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823137
6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823124
6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine
CID 116823236
N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine
CID 116823177
6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
CID 79992418
6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823159
N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80977443
N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 116823140
N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine
CID 79991770
4-(3-methylthiophen-2-yl)pyrimidine
CID 129068181

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine (CID 116823253) is N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine is CNc1ncnnc1-c1sccc1C.
What is the InChIKey of N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine?
The InChIKey is PRLDWQOWCMNMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-6-3-4-14-8(6)7-9(10-2)11-5-12-13-7/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine?
N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine has a molecular weight of 206.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylthiophen-2-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).