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

C9H12N4S — CID 66193282

IUPACN-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C9H12N4S/c1-10-4-9-6-13(12-11-9)5-8-2-3-14-7-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyVBLYRJZJXFSBQY-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.11
Rot. Bonds4

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

N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine (PubChem CID 66193282) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine
PubChem CID66193282
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C9H12N4S/c1-10-4-9-6-13(12-11-9)5-8-2-3-14-7-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyVBLYRJZJXFSBQY-UHFFFAOYSA-N
XLogP1.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.11
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-(thiophen-3-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine (CID 66193282) is N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine is CNCc1cn(Cc2ccsc2)nn1.
What is the InChIKey of N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is VBLYRJZJXFSBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-10-4-9-6-13(12-11-9)5-8-2-3-14-7-8/h2-3,6-7,10H,4-5H2,1H3.
What are the key properties of N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine?
N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 66193282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).