1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine

C13H20N4S — CID 107557879

IUPAC1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCCc1nc(CC)n(Cc2ccc(CNC)s2)n1
InChIInChI=1S/C13H20N4S/c1-4-12-15-13(5-2)17(16-12)9-11-7-6-10(18-11)8-14-3/h6-7,14H,4-5,8-9H2,1-3H3
InChIKeyIZVWXUXYGBLMLO-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.23
Rot. Bonds6

About 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine

1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine (PubChem CID 107557879) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
PubChem CID107557879
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCCc1nc(CC)n(Cc2ccc(CNC)s2)n1
InChIInChI=1S/C13H20N4S/c1-4-12-15-13(5-2)17(16-12)9-11-7-6-10(18-11)8-14-3/h6-7,14H,4-5,8-9H2,1-3H3
InChIKeyIZVWXUXYGBLMLO-UHFFFAOYSA-N
XLogP2.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 107557738
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557811
1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine
CID 105406400
1-[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107555653
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
CID 107555940
N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107556696
1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556015
3-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-5-methoxyaniline
CID 81150679
N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107557716
N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107556945
1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556582
4-[(1S)-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1-hydroxyethyl]benzonitrile
CID 97157266

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine (CID 107557879) is 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine is CCc1nc(CC)n(Cc2ccc(CNC)s2)n1.
What is the InChIKey of 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
The InChIKey is IZVWXUXYGBLMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-12-15-13(5-2)17(16-12)9-11-7-6-10(18-11)8-14-3/h6-7,14H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107557879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).