N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine

C14H22N4S — CID 104999943

IUPACN-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCNC(Cc1ncnn1CC(C)C)c1ccc(C)s1
InChIInChI=1S/C14H22N4S/c1-10(2)8-18-14(16-9-17-18)7-12(15-4)13-6-5-11(3)19-13/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyQSCBCYWDBCCTLM-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine

N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 104999943) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID104999943
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCNC(Cc1ncnn1CC(C)C)c1ccc(C)s1
InChIInChI=1S/C14H22N4S/c1-10(2)8-18-14(16-9-17-18)7-12(15-4)13-6-5-11(3)19-13/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyQSCBCYWDBCCTLM-UHFFFAOYSA-N
XLogP2.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(thiadiazol-4-yl)ethanamine
CID 105160728
N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999895
1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000098
1-(2,5-dichlorophenyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999862
[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317711
1-(5-bromo-2-chlorophenyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000124
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine
CID 104999897
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160788
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260503
[1-(2,6-dimethyl-4-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107504998
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine (CID 104999943) is N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine is CNC(Cc1ncnn1CC(C)C)c1ccc(C)s1.
What is the InChIKey of N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is QSCBCYWDBCCTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-10(2)8-18-14(16-9-17-18)7-12(15-4)13-6-5-11(3)19-13/h5-6,9-10,12,15H,7-8H2,1-4H3.
What are the key properties of N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine?
N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 278.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 104999943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).