N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine

C10H14N4S — CID 66194245

IUPACN-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCc2ccsc2)nn1
InChIInChI=1S/C10H14N4S/c1-11-6-10-7-14(13-12-10)4-2-9-3-5-15-8-9/h3,5,7-8,11H,2,4,6H2,1H3
InChIKeyAPMPBZWKDJJBEV-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.30
Rot. Bonds5

About N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine

N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine (PubChem CID 66194245) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine
PubChem CID66194245
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCc2ccsc2)nn1
InChIInChI=1S/C10H14N4S/c1-11-6-10-7-14(13-12-10)4-2-9-3-5-15-8-9/h3,5,7-8,11H,2,4,6H2,1H3
InChIKeyAPMPBZWKDJJBEV-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine (CID 66194245) is N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine is CNCc1cn(CCc2ccsc2)nn1.
What is the InChIKey of N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine?
The InChIKey is APMPBZWKDJJBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-11-6-10-7-14(13-12-10)4-2-9-3-5-15-8-9/h3,5,7-8,11H,2,4,6H2,1H3.
What are the key properties of N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine?
N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine has a molecular weight of 222.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 66194245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).