N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine

C10H14N4S — CID 62839938

IUPACN-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1cn(C)nn1)c1ccsc1
InChIInChI=1S/C10H14N4S/c1-8(9-3-4-15-7-9)11-5-10-6-14(2)13-12-10/h3-4,6-8,11H,5H2,1-2H3
InChIKeyWRBPHZFFPCSDJG-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.73
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine

N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 62839938) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID62839938
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1cn(C)nn1)c1ccsc1
InChIInChI=1S/C10H14N4S/c1-8(9-3-4-15-7-9)11-5-10-6-14(2)13-12-10/h3-4,6-8,11H,5H2,1-2H3
InChIKeyWRBPHZFFPCSDJG-UHFFFAOYSA-N
XLogP1.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine (CID 62839938) is N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine is CC(NCc1cn(C)nn1)c1ccsc1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is WRBPHZFFPCSDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-8(9-3-4-15-7-9)11-5-10-6-14(2)13-12-10/h3-4,6-8,11H,5H2,1-2H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 222.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62839938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).