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

C12H16N4S — CID 105362410

IUPAC5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2cccs2)nc1CC
InChIInChI=1S/C12H16N4S/c1-3-10-11(4-2)15-16-12(14-10)13-8-9-6-5-7-17-9/h5-7H,3-4,8H2,1-2H3,(H,13,14,16)
InChIKeyWGJQBONRNWAWKP-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.67
Rot. Bonds5

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

5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 105362410) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID105362410
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2cccs2)nc1CC
InChIInChI=1S/C12H16N4S/c1-3-10-11(4-2)15-16-12(14-10)13-8-9-6-5-7-17-9/h5-7H,3-4,8H2,1-2H3,(H,13,14,16)
InChIKeyWGJQBONRNWAWKP-UHFFFAOYSA-N
XLogP2.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362665
5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine
CID 105362737
5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362504
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
2-ethyl-6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933272
5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115910533
5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
CID 114985339
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine (CID 105362410) is 5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine is CCc1nnc(NCc2cccs2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is WGJQBONRNWAWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-10-11(4-2)15-16-12(14-10)13-8-9-6-5-7-17-9/h5-7H,3-4,8H2,1-2H3,(H,13,14,16).
What are the key properties of 5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 248.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).