N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine

C11H16N4S — CID 62756701

IUPACN-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cn(C)nn1
InChIInChI=1S/C11H16N4S/c1-9(5-10-3-4-16-8-10)12-6-11-7-15(2)14-13-11/h3-4,7-9,12H,5-6H2,1-2H3
InChIKeyVTTSHPXEWBEIPT-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.60
Rot. Bonds5

About N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 62756701) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID62756701
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cn(C)nn1
InChIInChI=1S/C11H16N4S/c1-9(5-10-3-4-16-8-10)12-6-11-7-15(2)14-13-11/h3-4,7-9,12H,5-6H2,1-2H3
InChIKeyVTTSHPXEWBEIPT-UHFFFAOYSA-N
XLogP1.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(S)-cyclohexyl-(thiophen-3-ylmethylamino)methyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 69925936
N-methyl-1-(1-{[1-(2-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 28139267
5-[[1-(4-piperidyl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71740371
5-[[1-(1-methyl-4-piperidyl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71740498
(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
CID 124848303
1-Thiophen-3-yl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 61631820
1-Thiophen-3-yl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
CID 61631960
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
1-cyclohexyl-N-[1-methyl-2-(3-thienyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 56898030
5-[[1-(1-ethyl-4-piperidyl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71740499
5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 70964372
5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 70964432

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 62756701) is N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1cn(C)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is VTTSHPXEWBEIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-9(5-10-3-4-16-8-10)12-6-11-7-15(2)14-13-11/h3-4,7-9,12H,5-6H2,1-2H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 236.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 62756701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).