2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine

C9H21N6OP — CID 3060550

IUPAC2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)c1nc(N)n(P(=O)(N(C)C)N(C)C)n1
InChIInChI=1S/C9H21N6OP/c1-7(2)8-11-9(10)15(12-8)17(16,13(3)4)14(5)6/h7H,1-6H3,(H2,10,11,12)
InChIKeyFNYRAJPQGQVFQF-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.06
Rot. Bonds4

About 2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine

2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 3060550) has the molecular formula C9H21N6OP and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID3060550
Molecular FormulaC9H21N6OP
Molecular Weight260.28 g/mol
Exact Mass260.15
IUPAC Name2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)c1nc(N)n(P(=O)(N(C)C)N(C)C)n1
InChIInChI=1S/C9H21N6OP/c1-7(2)8-11-9(10)15(12-8)17(16,13(3)4)14(5)6/h7H,1-6H3,(H2,10,11,12)
InChIKeyFNYRAJPQGQVFQF-UHFFFAOYSA-N
XLogP1.06
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.06
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)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine (CID 3060550) is 2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine is CC(C)c1nc(N)n(P(=O)(N(C)C)N(C)C)n1.
What is the InChIKey of 2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is FNYRAJPQGQVFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N6OP/c1-7(2)8-11-9(10)15(12-8)17(16,13(3)4)14(5)6/h7H,1-6H3,(H2,10,11,12).
What are the key properties of 2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine?
2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 260.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 3060550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).