N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine

C11H16N4S — CID 66192968

IUPACN-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2cccs2)nn1
InChIInChI=1S/C11H16N4S/c1-2-5-12-7-10-8-15(14-13-10)9-11-4-3-6-16-11/h3-4,6,8,12H,2,5,7,9H2,1H3
InChIKeyLEWYVOBIVVYFNR-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.89
Rot. Bonds6

About N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine

N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine (PubChem CID 66192968) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
PubChem CID66192968
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2cccs2)nn1
InChIInChI=1S/C11H16N4S/c1-2-5-12-7-10-8-15(14-13-10)9-11-4-3-6-16-11/h3-4,6,8,12H,2,5,7,9H2,1H3
InChIKeyLEWYVOBIVVYFNR-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine 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-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194711
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
N-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62736140
4-(2-chloroethyl)-1-(thiophen-2-ylmethyl)triazole
CID 62400654
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192578
N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192964
N-[[1-(1,3-benzothiazol-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66193350
N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192365
N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192180
N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191986
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[[1-[(2-chloro-4-methylphenyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 106869351

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine (CID 66192968) is N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2cccs2)nn1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine?
The InChIKey is LEWYVOBIVVYFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-2-5-12-7-10-8-15(14-13-10)9-11-4-3-6-16-11/h3-4,6,8,12H,2,5,7,9H2,1H3.
What are the key properties of N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine?
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66192968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).