3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine

C10H18N8S — CID 168869273

IUPAC3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine
SMILESCC(C)c1nnc(Sc2nnc(C(C)C)n2N)n1N
InChIInChI=1S/C10H18N8S/c1-5(2)7-13-15-9(17(7)11)19-10-16-14-8(6(3)4)18(10)12/h5-6H,11-12H2,1-4H3
InChIKeyBNBSFTIILJDKSD-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.70
Rot. Bonds4

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

3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine (PubChem CID 168869273) has the molecular formula C10H18N8S and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine
PubChem CID168869273
Molecular FormulaC10H18N8S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine
SMILESCC(C)c1nnc(Sc2nnc(C(C)C)n2N)n1N
InChIInChI=1S/C10H18N8S/c1-5(2)7-13-15-9(17(7)11)19-10-16-14-8(6(3)4)18(10)12/h5-6H,11-12H2,1-4H3
InChIKeyBNBSFTIILJDKSD-UHFFFAOYSA-N
XLogP0.70
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine (CID 168869273) is 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine is CC(C)c1nnc(Sc2nnc(C(C)C)n2N)n1N.
What is the InChIKey of 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine?
The InChIKey is BNBSFTIILJDKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N8S/c1-5(2)7-13-15-9(17(7)11)19-10-16-14-8(6(3)4)18(10)12/h5-6H,11-12H2,1-4H3.
What are the key properties of 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine?
3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine has a molecular weight of 282.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 168869273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).