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

C12H19N6OP — CID 13943

IUPAC2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
SMILESCN(C)P(=O)(N(C)C)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)
InChIKeyBABJTMNVJXLAEX-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.61
Rot. Bonds4

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

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine (PubChem CID 13943) has the molecular formula C12H19N6OP and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
PubChem CID13943
Molecular FormulaC12H19N6OP
Molecular Weight294.30 g/mol
Exact Mass294.14
IUPAC Name2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
SMILESCN(C)P(=O)(N(C)C)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)
InChIKeyBABJTMNVJXLAEX-UHFFFAOYSA-N
XLogP1.61
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.61
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-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine (CID 13943) is 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine is CN(C)P(=O)(N(C)C)n1nc(-c2ccccc2)nc1N.
What is the InChIKey of 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine?
The InChIKey is BABJTMNVJXLAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15).
What are the key properties of 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine?
2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 294.30 g/mol, XLogP of 1.61, 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-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 13943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).