N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine

C12H19N5S — CID 62421398

IUPACN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine
SMILESCNCc1cn(CCN(C)Cc2ccsc2)nn1
InChIInChI=1S/C12H19N5S/c1-13-7-12-9-17(15-14-12)5-4-16(2)8-11-3-6-18-10-11/h3,6,9-10,13H,4-5,7-8H2,1-2H3
InChIKeyNPTQWAHEDITGCH-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.19
Rot. Bonds7

About N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine

N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 62421398) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID62421398
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine
SMILESCNCc1cn(CCN(C)Cc2ccsc2)nn1
InChIInChI=1S/C12H19N5S/c1-13-7-12-9-17(15-14-12)5-4-16(2)8-11-3-6-18-10-11/h3,6,9-10,13H,4-5,7-8H2,1-2H3
InChIKeyNPTQWAHEDITGCH-UHFFFAOYSA-N
XLogP1.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
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1-[4-[(1S)-2-methyl-1-(thiophen-3-ylmethylamino)propyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 89643171
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
propane;N'-[(Z)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]but-2-en-2-yl]ethanimidamide
CID 144021757
N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626483
N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626496
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626561
N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626587
N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine (CID 62421398) is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine is CNCc1cn(CCN(C)Cc2ccsc2)nn1.
What is the InChIKey of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is NPTQWAHEDITGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-13-7-12-9-17(15-14-12)5-4-16(2)8-11-3-6-18-10-11/h3,6,9-10,13H,4-5,7-8H2,1-2H3.
What are the key properties of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine?
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 265.39 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 62421398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).