2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine

C6H12N4OS — CID 107059374

IUPAC2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine
SMILESCn1cc(CS(=O)CCN)nn1
InChIInChI=1S/C6H12N4OS/c1-10-4-6(8-9-10)5-12(11)3-2-7/h4H,2-3,5,7H2,1H3
InChIKeyGXYHAYVMCOOFRK-UHFFFAOYSA-N
MW188.26 g/mol
LogP-0.98
Rot. Bonds4

About 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine

2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine (PubChem CID 107059374) has the molecular formula C6H12N4OS and a molecular weight of 188.26 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine
PubChem CID107059374
Molecular FormulaC6H12N4OS
Molecular Weight188.26 g/mol
Exact Mass188.07
IUPAC Name2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine
SMILESCn1cc(CS(=O)CCN)nn1
InChIInChI=1S/C6H12N4OS/c1-10-4-6(8-9-10)5-12(11)3-2-7/h4H,2-3,5,7H2,1H3
InChIKeyGXYHAYVMCOOFRK-UHFFFAOYSA-N
XLogP-0.98
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methyltriazol-4-yl)methylsulfinyl]acetic acid
CID 104879977
2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine
CID 107059372
2-[1-[(1-methyltriazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid
CID 107052001
3-fluoro-5-[(1-methyltriazol-4-yl)methylsulfinyl]aniline
CID 107059439
2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine
CID 107059475
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032
N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
CID 70457819
ethane;4-ethyl-1-methyltriazole
CID 143593274
1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062385
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine (CID 107059374) is 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine is Cn1cc(CS(=O)CCN)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine?
The InChIKey is GXYHAYVMCOOFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4OS/c1-10-4-6(8-9-10)5-12(11)3-2-7/h4H,2-3,5,7H2,1H3.
What are the key properties of 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine?
2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine has a molecular weight of 188.26 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine is sourced from PubChem (CID 107059374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).