2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine

C7H14N4S — CID 134276342

IUPAC2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine
SMILESCSC(C)c1cn(CCN)nn1
InChIInChI=1S/C7H14N4S/c1-6(12-2)7-5-11(4-3-8)10-9-7/h5-6H,3-4,8H2,1-2H3
InChIKeyPTCQDDBIHUXIAX-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.66
Rot. Bonds4

About 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine

2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine (PubChem CID 134276342) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine
PubChem CID134276342
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine
SMILESCSC(C)c1cn(CCN)nn1
InChIInChI=1S/C7H14N4S/c1-6(12-2)7-5-11(4-3-8)10-9-7/h5-6H,3-4,8H2,1-2H3
InChIKeyPTCQDDBIHUXIAX-UHFFFAOYSA-N
XLogP0.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine (CID 134276342) is 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine is CSC(C)c1cn(CCN)nn1.
What is the InChIKey of 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine?
The InChIKey is PTCQDDBIHUXIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-6(12-2)7-5-11(4-3-8)10-9-7/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine?
2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine has a molecular weight of 186.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylsulfanylethyl)triazol-1-yl]ethanamine is sourced from PubChem (CID 134276342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).