2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine

C11H16BrN5S — CID 55073990

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine
SMILESCN(CCn1cc(CN)nn1)Cc1cc(Br)cs1
InChIInChI=1S/C11H16BrN5S/c1-16(7-11-4-9(12)8-18-11)2-3-17-6-10(5-13)14-15-17/h4,6,8H,2-3,5,7,13H2,1H3
InChIKeyDCIFOLWPOAOEPQ-UHFFFAOYSA-N
MW330.26 g/mol
LogP1.69
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine

2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine (PubChem CID 55073990) has the molecular formula C11H16BrN5S and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine
PubChem CID55073990
Molecular FormulaC11H16BrN5S
Molecular Weight330.26 g/mol
Exact Mass329.03
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine
SMILESCN(CCn1cc(CN)nn1)Cc1cc(Br)cs1
InChIInChI=1S/C11H16BrN5S/c1-16(7-11-4-9(12)8-18-11)2-3-17-6-10(5-13)14-15-17/h4,6,8H,2-3,5,7,13H2,1H3
InChIKeyDCIFOLWPOAOEPQ-UHFFFAOYSA-N
XLogP1.69
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(1-{[1-(2-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 28139267
1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 128968790
1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 128994762
(3-Fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
CID 130603707
4-(Methylsulfanylmethyl)-1-(1-thiophen-2-ylethyl)triazole
CID 68514341
4-(Methylsulfanylmethyl)-1-(thiophen-2-ylmethyl)triazole
CID 68518939
4-(5-Bromothiophen-2-yl)-1-propyltriazole
CID 135305771
4-Butyl-1-(thiophen-2-ylmethyl)triazole
CID 174712957
N-[(4-bromothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435104
N-[(4-bromothiophen-2-yl)methyl]-1-methyl-1H-pyrazol-4-amine
CID 43534759
N-[(4-Bromothiophen-2-yl)methyl]-1-ethyl-1H-pyrazol-4-amine
CID 43543293
N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine (CID 55073990) is 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine is CN(CCn1cc(CN)nn1)Cc1cc(Br)cs1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine?
The InChIKey is DCIFOLWPOAOEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5S/c1-16(7-11-4-9(12)8-18-11)2-3-17-6-10(5-13)14-15-17/h4,6,8H,2-3,5,7,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine?
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine has a molecular weight of 330.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 55073990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).