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

C11H14N4S — CID 66192447

IUPACN-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1csc(Cn2cc(CNC3CC3)nn2)c1
InChIInChI=1S/C11H14N4S/c1-2-11(16-5-1)8-15-7-10(13-14-15)6-12-9-3-4-9/h1-2,5,7,9,12H,3-4,6,8H2
InChIKeyUIFUCEBVBXBTIW-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.64
Rot. Bonds5

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

N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66192447) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID66192447
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1csc(Cn2cc(CNC3CC3)nn2)c1
InChIInChI=1S/C11H14N4S/c1-2-11(16-5-1)8-15-7-10(13-14-15)6-12-9-3-4-9/h1-2,5,7,9,12H,3-4,6,8H2
InChIKeyUIFUCEBVBXBTIW-UHFFFAOYSA-N
XLogP1.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66192968
4-(2-chloroethyl)-1-(thiophen-2-ylmethyl)triazole
CID 62400654
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66194383
N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66191658
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192057
N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66191856
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194576
N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 64686739

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine (CID 66192447) is N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine is c1csc(Cn2cc(CNC3CC3)nn2)c1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is UIFUCEBVBXBTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-11(16-5-1)8-15-7-10(13-14-15)6-12-9-3-4-9/h1-2,5,7,9,12H,3-4,6,8H2.
What are the key properties of N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 234.33 g/mol, XLogP of 1.64, 5 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]cyclopropanamine is sourced from PubChem (CID 66192447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).