2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine

C11H16BrN5S — CID 62462611

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine
SMILESCN(CCn1cc(CN)nn1)Cc1csc(Br)c1
InChIInChI=1S/C11H16BrN5S/c1-16(6-9-4-11(12)18-8-9)2-3-17-7-10(5-13)14-15-17/h4,7-8H,2-3,5-6,13H2,1H3
InChIKeySFTWQGCCVIIRIO-UHFFFAOYSA-N
MW330.26 g/mol
LogP1.69
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine

2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine (PubChem CID 62462611) 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-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine
PubChem CID62462611
Molecular FormulaC11H16BrN5S
Molecular Weight330.26 g/mol
Exact Mass329.03
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine
SMILESCN(CCn1cc(CN)nn1)Cc1csc(Br)c1
InChIInChI=1S/C11H16BrN5S/c1-16(6-9-4-11(12)18-8-9)2-3-17-7-10(5-13)14-15-17/h4,7-8H,2-3,5-6,13H2,1H3
InChIKeySFTWQGCCVIIRIO-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-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
N-[(5-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
CID 43647092
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpyrazol-4-amine
CID 43647094
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 54982436
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine
CID 55073989
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-bromothiophen-2-yl)methyl]-N-methylethanamine
CID 55073990
N-methyl-1-[1-(3-piperidinylmethyl)-1H-1,2,3-triazol-4-yl]-N-(3-thienylmethyl)methanamine bis(trifluoroacetate)
CID 56854108
N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine
CID 60931810
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
CID 62055144

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine (CID 62462611) is 2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine is CN(CCn1cc(CN)nn1)Cc1csc(Br)c1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine?
The InChIKey is SFTWQGCCVIIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5S/c1-16(6-9-4-11(12)18-8-9)2-3-17-7-10(5-13)14-15-17/h4,7-8H,2-3,5-6,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine?
2-[4-(aminomethyl)triazol-1-yl]-N-[(5-bromothiophen-3-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-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 62462611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).