5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine

C11H15N5S — CID 105362504

IUPAC5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2nccs2)nc1CC
InChIInChI=1S/C11H15N5S/c1-3-8-9(4-2)15-16-11(14-8)13-7-10-12-5-6-17-10/h5-6H,3-4,7H2,1-2H3,(H,13,14,16)
InChIKeyXFFLUVUIPXAPMG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.07
Rot. Bonds5

About 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 105362504) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID105362504
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2nccs2)nc1CC
InChIInChI=1S/C11H15N5S/c1-3-8-9(4-2)15-16-11(14-8)13-7-10-12-5-6-17-10/h5-6H,3-4,7H2,1-2H3,(H,13,14,16)
InChIKeyXFFLUVUIPXAPMG-UHFFFAOYSA-N
XLogP2.07
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine
CID 105362737
5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362410
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
5-ethyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 103933936
6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 146105270
N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362665
5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
CID 114985339
2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80782409
2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 79017119
1-methyl-N-(1,3-thiazol-2-ylmethyl)tetrazol-5-amine
CID 63150079
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine (CID 105362504) is 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine is CCc1nnc(NCc2nccs2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is XFFLUVUIPXAPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-3-8-9(4-2)15-16-11(14-8)13-7-10-12-5-6-17-10/h5-6H,3-4,7H2,1-2H3,(H,13,14,16).
What are the key properties of 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 249.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).