1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C13H20N4S — CID 112735841

IUPAC1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cnn(C)n1
InChIInChI=1S/C13H20N4S/c1-3-8-14-12(13-10-15-17(2)16-13)7-6-11-5-4-9-18-11/h4-5,9-10,12,14H,3,6-8H2,1-2H3
InChIKeyHMUPQAKXIGDSMA-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.55
Rot. Bonds7

About 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 112735841) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID112735841
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cnn(C)n1
InChIInChI=1S/C13H20N4S/c1-3-8-14-12(13-10-15-17(2)16-13)7-6-11-5-4-9-18-11/h4-5,9-10,12,14H,3,6-8H2,1-2H3
InChIKeyHMUPQAKXIGDSMA-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79712986
1-(6-methyl-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63773530
1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 102952185
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81153016
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860702
N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114219164
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 112735841) is 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1cnn(C)n1.
What is the InChIKey of 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is HMUPQAKXIGDSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-3-8-14-12(13-10-15-17(2)16-13)7-6-11-5-4-9-18-11/h4-5,9-10,12,14H,3,6-8H2,1-2H3.
What are the key properties of 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 264.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 112735841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).