4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine

C13H25N5OS — CID 64534933

IUPAC4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine
SMILESCC(C)N1CCOC(CSc2nnc(N)n2C(C)C)C1
InChIInChI=1S/C13H25N5OS/c1-9(2)17-5-6-19-11(7-17)8-20-13-16-15-12(14)18(13)10(3)4/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyXXHRBOLHJOAMKP-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.64
Rot. Bonds5

About 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine

4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine (PubChem CID 64534933) has the molecular formula C13H25N5OS and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine
PubChem CID64534933
Molecular FormulaC13H25N5OS
Molecular Weight299.44 g/mol
Exact Mass299.18
IUPAC Name4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine
SMILESCC(C)N1CCOC(CSc2nnc(N)n2C(C)C)C1
InChIInChI=1S/C13H25N5OS/c1-9(2)17-5-6-19-11(7-17)8-20-13-16-15-12(14)18(13)10(3)4/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyXXHRBOLHJOAMKP-UHFFFAOYSA-N
XLogP1.64
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine (CID 64534933) is 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine is CC(C)N1CCOC(CSc2nnc(N)n2C(C)C)C1.
What is the InChIKey of 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The InChIKey is XXHRBOLHJOAMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5OS/c1-9(2)17-5-6-19-11(7-17)8-20-13-16-15-12(14)18(13)10(3)4/h9-11H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine has a molecular weight of 299.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 64534933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).