1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

C10H20N4S — CID 61378601

IUPAC1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nnc(C)n1C(C)C
InChIInChI=1S/C10H20N4S/c1-7(2)14-8(3)12-13-10(14)9(11)5-6-15-4/h7,9H,5-6,11H2,1-4H3
InChIKeyKZZYREZZUWHRIW-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.92
Rot. Bonds5

About 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 61378601) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
PubChem CID61378601
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nnc(C)n1C(C)C
InChIInChI=1S/C10H20N4S/c1-7(2)14-8(3)12-13-10(14)9(11)5-6-15-4/h7,9H,5-6,11H2,1-4H3
InChIKeyKZZYREZZUWHRIW-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 104910664
2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 81081213
3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole
CID 162010980
1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54919733
(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104895409
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920160
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 60784384
(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 104910672
(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
CID 115285740
1-[6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methylsulfanylpropan-1-amine
CID 4889170
1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 70052916
(1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
CID 131920819

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (CID 61378601) is 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1nnc(C)n1C(C)C.
What is the InChIKey of 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is KZZYREZZUWHRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-7(2)14-8(3)12-13-10(14)9(11)5-6-15-4/h7,9H,5-6,11H2,1-4H3.
What are the key properties of 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 61378601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).