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

C11H25N6PS — CID 24841652

IUPAC2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine
SMILESCCCCCc1nc(N)n(P(=S)(N(C)C)N(C)C)n1
InChIInChI=1S/C11H25N6PS/c1-6-7-8-9-10-13-11(12)17(14-10)18(19,15(2)3)16(4)5/h6-9H2,1-5H3,(H2,12,13,14)
InChIKeyNWFZFJZVILGZKV-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.79
Rot. Bonds7

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

2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine (PubChem CID 24841652) has the molecular formula C11H25N6PS and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine
PubChem CID24841652
Molecular FormulaC11H25N6PS
Molecular Weight304.40 g/mol
Exact Mass304.16
IUPAC Name2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine
SMILESCCCCCc1nc(N)n(P(=S)(N(C)C)N(C)C)n1
InChIInChI=1S/C11H25N6PS/c1-6-7-8-9-10-13-11(12)17(14-10)18(19,15(2)3)16(4)5/h6-9H2,1-5H3,(H2,12,13,14)
InChIKeyNWFZFJZVILGZKV-UHFFFAOYSA-N
XLogP1.79
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine (CID 24841652) is 2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine is CCCCCc1nc(N)n(P(=S)(N(C)C)N(C)C)n1.
What is the InChIKey of 2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine?
The InChIKey is NWFZFJZVILGZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N6PS/c1-6-7-8-9-10-13-11(12)17(14-10)18(19,15(2)3)16(4)5/h6-9H2,1-5H3,(H2,12,13,14).
What are the key properties of 2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine?
2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine has a molecular weight of 304.40 g/mol, XLogP of 1.79, 7 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-pentyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 24841652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).