1-methylsulfanyl-5-propan-2-yltriazole

C6H11N3S — CID 153215052

IUPAC1-methylsulfanyl-5-propan-2-yltriazole
SMILESCSn1nncc1C(C)C
InChIInChI=1S/C6H11N3S/c1-5(2)6-4-7-8-9(6)10-3/h4-5H,1-3H3
InChIKeyWMNYPINXDRGYGI-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.53
Rot. Bonds2

About 1-methylsulfanyl-5-propan-2-yltriazole

1-methylsulfanyl-5-propan-2-yltriazole (PubChem CID 153215052) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-methylsulfanyl-5-propan-2-yltriazole.

Molecular Properties

Compound Name1-methylsulfanyl-5-propan-2-yltriazole
PubChem CID153215052
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name1-methylsulfanyl-5-propan-2-yltriazole
SMILESCSn1nncc1C(C)C
InChIInChI=1S/C6H11N3S/c1-5(2)6-4-7-8-9(6)10-3/h4-5H,1-3H3
InChIKeyWMNYPINXDRGYGI-UHFFFAOYSA-N
XLogP1.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-di(propan-2-yl)triazole
CID 161103432
1-methylsulfanyl-5-propan-2-ylpyrazole
CID 170060430
1-(5-propan-2-yltriazol-1-yl)ethanethiol
CID 163802704
1-cyclopropyl-5-propan-2-yltriazole
CID 166500050
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
4-[3-(5-propan-2-yltriazol-1-yl)propoxy]aniline
CID 82222473
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
2,4-dimethylpentane;bis(1,4-di(propan-2-yl)triazole);bis(1,5-di(propan-2-yl)triazole)
CID 158086166
5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
CID 134105821
3-[2-(5-propan-2-yltriazol-1-yl)ethoxy]aniline
CID 82222471

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-5-propan-2-yltriazole?
The IUPAC name of 1-methylsulfanyl-5-propan-2-yltriazole (CID 153215052) is 1-methylsulfanyl-5-propan-2-yltriazole.
What is the SMILES notation for 1-methylsulfanyl-5-propan-2-yltriazole?
The canonical SMILES for 1-methylsulfanyl-5-propan-2-yltriazole is CSn1nncc1C(C)C.
What is the InChIKey of 1-methylsulfanyl-5-propan-2-yltriazole?
The InChIKey is WMNYPINXDRGYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-5(2)6-4-7-8-9(6)10-3/h4-5H,1-3H3.
What are the key properties of 1-methylsulfanyl-5-propan-2-yltriazole?
1-methylsulfanyl-5-propan-2-yltriazole has a molecular weight of 157.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-5-propan-2-yltriazole is sourced from PubChem (CID 153215052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).