2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine

C7H17N6PS — CID 3060558

IUPAC2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(P(=S)(N(C)C)N(C)C)n1
InChIInChI=1S/C7H17N6PS/c1-6-9-7(8)13(10-6)14(15,11(2)3)12(4)5/h1-5H3,(H2,8,9,10)
InChIKeyYGYWOCUHDPKAAD-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.36
Rot. Bonds3

About 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine

2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine (PubChem CID 3060558) has the molecular formula C7H17N6PS and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine
PubChem CID3060558
Molecular FormulaC7H17N6PS
Molecular Weight248.30 g/mol
Exact Mass248.10
IUPAC Name2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(P(=S)(N(C)C)N(C)C)n1
InChIInChI=1S/C7H17N6PS/c1-6-9-7(8)13(10-6)14(15,11(2)3)12(4)5/h1-5H3,(H2,8,9,10)
InChIKeyYGYWOCUHDPKAAD-UHFFFAOYSA-N
XLogP0.36
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine (CID 3060558) is 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine is Cc1nc(N)n(P(=S)(N(C)C)N(C)C)n1.
What is the InChIKey of 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is YGYWOCUHDPKAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N6PS/c1-6-9-7(8)13(10-6)14(15,11(2)3)12(4)5/h1-5H3,(H2,8,9,10).
What are the key properties of 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine?
2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 248.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 3060558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).