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

C10H20N4S — CID 104910664

IUPAC(1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCC[C@@H](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/t9-/m1/s1
InChIKeyKZZYREZZUWHRIW-SECBINFHSA-N
MW228.36 g/mol
LogP1.92
Rot. Bonds5

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

(1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 104910664) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is (1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
PubChem CID104910664
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name(1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCC[C@@H](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/t9-/m1/s1
InChIKeyKZZYREZZUWHRIW-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of (1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (CID 104910664) is (1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for (1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for (1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is CSCC[C@@H](N)c1nnc(C)n1C(C)C.
What is the InChIKey of (1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is KZZYREZZUWHRIW-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
(1R)-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 (1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104910664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).