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

C12H15BrN4S — CID 105362665

IUPACN-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2cc(Br)cs2)nc1CC
InChIInChI=1S/C12H15BrN4S/c1-3-10-11(4-2)16-17-12(15-10)14-6-9-5-8(13)7-18-9/h5,7H,3-4,6H2,1-2H3,(H,14,15,17)
InChIKeyFGIMXRCRNNOJGU-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.43
Rot. Bonds5

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

N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105362665) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105362665
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2cc(Br)cs2)nc1CC
InChIInChI=1S/C12H15BrN4S/c1-3-10-11(4-2)16-17-12(15-10)14-6-9-5-8(13)7-18-9/h5,7H,3-4,6H2,1-2H3,(H,14,15,17)
InChIKeyFGIMXRCRNNOJGU-UHFFFAOYSA-N
XLogP3.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362410
3-[(4-bromothiophen-2-yl)methylamino]-5,6-diethylpyridazine-4-carbothioamide
CID 80511741
N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362509
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113292960
N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599797
5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine
CID 105362737
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
N-[(4-bromothiophen-2-yl)methyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007260
N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168951
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106962364
3-N-[(4-bromothiophen-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66277551
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine
CID 115750528

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine (CID 105362665) is N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NCc2cc(Br)cs2)nc1CC.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is FGIMXRCRNNOJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-3-10-11(4-2)16-17-12(15-10)14-6-9-5-8(13)7-18-9/h5,7H,3-4,6H2,1-2H3,(H,14,15,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 327.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).