5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine

C10H12N4S — CID 114383163

IUPAC5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCc2cccs2)nc1C
InChIInChI=1S/C10H12N4S/c1-7-8(2)13-14-10(12-7)11-6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,11,12,14)
InChIKeyHFGFUFKTEJYHLI-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.16
Rot. Bonds3

About 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 114383163) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID114383163
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCc2cccs2)nc1C
InChIInChI=1S/C10H12N4S/c1-7-8(2)13-14-10(12-7)11-6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,11,12,14)
InChIKeyHFGFUFKTEJYHLI-UHFFFAOYSA-N
XLogP2.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine (CID 114383163) is 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine is Cc1nnc(NCc2cccs2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is HFGFUFKTEJYHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-8(2)13-14-10(12-7)11-6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,11,12,14).
What are the key properties of 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 220.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 114383163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).