3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine

C8H16N4S — CID 71863483

IUPAC3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine
SMILESCCCC(C)Sc1nnc(C)n1N
InChIInChI=1S/C8H16N4S/c1-4-5-6(2)13-8-11-10-7(3)12(8)9/h6H,4-5,9H2,1-3H3
InChIKeyVBUOKCPIAKDVBS-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.58
Rot. Bonds4

About 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine

3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 71863483) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine
PubChem CID71863483
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine
SMILESCCCC(C)Sc1nnc(C)n1N
InChIInChI=1S/C8H16N4S/c1-4-5-6(2)13-8-11-10-7(3)12(8)9/h6H,4-5,9H2,1-3H3
InChIKeyVBUOKCPIAKDVBS-UHFFFAOYSA-N
XLogP1.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine (CID 71863483) is 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine is CCCC(C)Sc1nnc(C)n1N.
What is the InChIKey of 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is VBUOKCPIAKDVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-4-5-6(2)13-8-11-10-7(3)12(8)9/h6H,4-5,9H2,1-3H3.
What are the key properties of 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine?
3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 200.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pentan-2-ylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 71863483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).