2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine

C7H14N4S — CID 43530547

IUPAC2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
SMILESCC(CN)CSc1nncn1C
InChIInChI=1S/C7H14N4S/c1-6(3-8)4-12-7-10-9-5-11(7)2/h5-6H,3-4,8H2,1-2H3
InChIKeyOWKVUFIQMQRMFM-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.50
Rot. Bonds4

About 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine

2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine (PubChem CID 43530547) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
PubChem CID43530547
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
SMILESCC(CN)CSc1nncn1C
InChIInChI=1S/C7H14N4S/c1-6(3-8)4-12-7-10-9-5-11(7)2/h5-6H,3-4,8H2,1-2H3
InChIKeyOWKVUFIQMQRMFM-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine;hydrochloride
CID 86262548
methyl (2S)-2-amino-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 94055657
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
CID 86262381
1-(4-aminophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 62266642
3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-2-amine
CID 64648159
3-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazole
CID 131206964
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-3-amine
CID 106808273
2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-amine
CID 65248710
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropanenitrile
CID 64535790
1-(2-ethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64648545
(2R)-1-(2-hydroxyethoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 40553895

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine?
The IUPAC name of 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine (CID 43530547) is 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine is CC(CN)CSc1nncn1C.
What is the InChIKey of 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine?
The InChIKey is OWKVUFIQMQRMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-6(3-8)4-12-7-10-9-5-11(7)2/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine?
2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine has a molecular weight of 186.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 43530547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).