N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine

C10H21N4PS — CID 2328305

IUPACN-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine
SMILESCc1nn(C)c(C)c1P(=S)(N(C)C)N(C)C
InChIInChI=1S/C10H21N4PS/c1-8-10(9(2)14(7)11-8)15(16,12(3)4)13(5)6/h1-7H3
InChIKeyORZOZUXGGVULBK-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.09
Rot. Bonds3

About N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine

N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine (PubChem CID 2328305) has the molecular formula C10H21N4PS and a molecular weight of 260.35 g/mol. Its IUPAC name is N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine
PubChem CID2328305
Molecular FormulaC10H21N4PS
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC NameN-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine
SMILESCc1nn(C)c(C)c1P(=S)(N(C)C)N(C)C
InChIInChI=1S/C10H21N4PS/c1-8-10(9(2)14(7)11-8)15(16,12(3)4)13(5)6/h1-7H3
InChIKeyORZOZUXGGVULBK-UHFFFAOYSA-N
XLogP1.09
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine (CID 2328305) is N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine is Cc1nn(C)c(C)c1P(=S)(N(C)C)N(C)C.
What is the InChIKey of N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine?
The InChIKey is ORZOZUXGGVULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N4PS/c1-8-10(9(2)14(7)11-8)15(16,12(3)4)13(5)6/h1-7H3.
What are the key properties of N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine?
N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine has a molecular weight of 260.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine is sourced from PubChem (CID 2328305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).