N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine

C11H13BrN4S — CID 66193787

IUPACN-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESBrc1cc(Cn2cc(CNC3CC3)nn2)cs1
InChIInChI=1S/C11H13BrN4S/c12-11-3-8(7-17-11)5-16-6-10(14-15-16)4-13-9-1-2-9/h3,6-7,9,13H,1-2,4-5H2
InChIKeyJGMNXGPXEYBIBA-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.40
Rot. Bonds5

About N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66193787) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66193787
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC NameN-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESBrc1cc(Cn2cc(CNC3CC3)nn2)cs1
InChIInChI=1S/C11H13BrN4S/c12-11-3-8(7-17-11)5-16-6-10(14-15-16)4-13-9-1-2-9/h3,6-7,9,13H,1-2,4-5H2
InChIKeyJGMNXGPXEYBIBA-UHFFFAOYSA-N
XLogP2.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
n-((5-Bromothiophen-3-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 43435001
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-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
n-((5-Bromothiophen-3-yl)methyl)-2-(1h-pyrazol-1-yl)ethan-1-amine
CID 56828835
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
1-[2-[(5-Bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine
CID 62139546
4-(2-Bromoethyl)-1-(thiophen-3-ylmethyl)triazole
CID 62394425
4-(2-Bromoethyl)-1-[(5-bromothiophen-3-yl)methyl]triazole
CID 62395839

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66193787) is N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is Brc1cc(Cn2cc(CNC3CC3)nn2)cs1.
What is the InChIKey of N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is JGMNXGPXEYBIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c12-11-3-8(7-17-11)5-16-6-10(14-15-16)4-13-9-1-2-9/h3,6-7,9,13H,1-2,4-5H2.
What are the key properties of N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 313.22 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromothiophen-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66193787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).