5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine

C14H20N4S — CID 105362737

IUPAC5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCCc1ccsc1CNc1nnc(CC)c(CC)n1
InChIInChI=1S/C14H20N4S/c1-4-10-7-8-19-13(10)9-15-14-16-11(5-2)12(6-3)17-18-14/h7-8H,4-6,9H2,1-3H3,(H,15,16,18)
InChIKeyBNZTUKORECHWIH-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.23
Rot. Bonds6

About 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 105362737) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID105362737
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCCc1ccsc1CNc1nnc(CC)c(CC)n1
InChIInChI=1S/C14H20N4S/c1-4-10-7-8-19-13(10)9-15-14-16-11(5-2)12(6-3)17-18-14/h7-8H,4-6,9H2,1-3H3,(H,15,16,18)
InChIKeyBNZTUKORECHWIH-UHFFFAOYSA-N
XLogP3.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362504
5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362410
4-N-[(3-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80854992
2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 107544856
N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362665
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80926174
N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80929885
N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361787
4-N-[(3-ethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80855130
2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652752
5-N-[(3-ethylthiophen-2-yl)methyl]-3-N-methylpyridine-3,5-diamine
CID 113424165
5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
CID 114985339

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine (CID 105362737) is 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine is CCc1ccsc1CNc1nnc(CC)c(CC)n1.
What is the InChIKey of 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is BNZTUKORECHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-10-7-8-19-13(10)9-15-14-16-11(5-2)12(6-3)17-18-14/h7-8H,4-6,9H2,1-3H3,(H,15,16,18).
What are the key properties of 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 276.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).