5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen

C3H7N3OS — CID 143010299

IUPAC5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen
SMILESCS(=O)c1ncn[nH]1.[H][H]
InChIInChI=1S/C3H5N3OS.H2/c1-8(7)3-4-2-5-6-3;/h2H,1H3,(H,4,5,6);1H
InChIKeyYWQRSGUTMBPXTR-UHFFFAOYSA-N
MW133.18 g/mol
LogP-0.21
Rot. Bonds1

About 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen

5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen (PubChem CID 143010299) has the molecular formula C3H7N3OS and a molecular weight of 133.18 g/mol. Its IUPAC name is 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen.

Molecular Properties

Compound Name5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen
PubChem CID143010299
Molecular FormulaC3H7N3OS
Molecular Weight133.18 g/mol
Exact Mass133.03
IUPAC Name5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen
SMILESCS(=O)c1ncn[nH]1.[H][H]
InChIInChI=1S/C3H5N3OS.H2/c1-8(7)3-4-2-5-6-3;/h2H,1H3,(H,4,5,6);1H
InChIKeyYWQRSGUTMBPXTR-UHFFFAOYSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(S)-methylsulfinyl]-1H-imidazole
CID 139179985
bis[3-methylsulfinyl-3-(1H-1,2,4-triazol-5-yl)propoxy]-oxophosphanium
CID 57131517
ethane;5-methoxy-1H-1,2,4-triazole
CID 143372875
5-methylsulfanyloxy-1H-1,2,4-triazole
CID 121329843
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
N-methyl-1H-1,2,4-triazol-5-amine
CID 566828
1H-1,2,4-triazol-5-amine
CID 22743754
(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
CID 71313376
CID 69093513
CID 69093513
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
2-(1H-1,2,4-triazol-5-yl)propanal
CID 23285057
oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium
CID 57256431

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen?
The IUPAC name of 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen (CID 143010299) is 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen.
What is the SMILES notation for 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen?
The canonical SMILES for 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen is CS(=O)c1ncn[nH]1.[H][H].
What is the InChIKey of 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen?
The InChIKey is YWQRSGUTMBPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3OS.H2/c1-8(7)3-4-2-5-6-3;/h2H,1H3,(H,4,5,6);1H.
What are the key properties of 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen?
5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen has a molecular weight of 133.18 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinyl-1H-1,2,4-triazole;molecular hydrogen is sourced from PubChem (CID 143010299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).