2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine

C9H18N4S — CID 83886429

IUPAC2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine
SMILESCSc1nnc(CCN)n1CC(C)C
InChIInChI=1S/C9H18N4S/c1-7(2)6-13-8(4-5-10)11-12-9(13)14-3/h7H,4-6,10H2,1-3H3
InChIKeyTZRHJYVHNBFXJN-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.16
Rot. Bonds5

About 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine

2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 83886429) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID83886429
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine
SMILESCSc1nnc(CCN)n1CC(C)C
InChIInChI=1S/C9H18N4S/c1-7(2)6-13-8(4-5-10)11-12-9(13)14-3/h7H,4-6,10H2,1-3H3
InChIKeyTZRHJYVHNBFXJN-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-methylbutyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine
CID 16767696
1,1,3,3-tetramethyl-2-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]guanidine
CID 111069882
1-(3-methylbutyl)-2-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]guanidine
CID 111069836
2,2-dimethyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]propanamide
CID 60600843
1-(2-methoxyethyl)-2-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]guanidine
CID 110935005
4-methyl-N'-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]piperidine-1-carboximidamide;hydroiodide
CID 110935010
1-amino-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119733156
5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 4962421
2-methyl-1-(4-methylpentyl)-3-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]guanidine
CID 111943451
2-fluoro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
CID 55391316
5-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685121
2-methyl-1-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-3-pentylguanidine
CID 111128445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine (CID 83886429) is 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine is CSc1nnc(CCN)n1CC(C)C.
What is the InChIKey of 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is TZRHJYVHNBFXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-7(2)6-13-8(4-5-10)11-12-9(13)14-3/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine?
2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 214.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 83886429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).