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

C7H17N6OP — CID 3060553

IUPAC2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(P(=O)(N(C)C)N(C)C)n1
InChIInChI=1S/C7H17N6OP/c1-6-9-7(8)13(10-6)15(14,11(2)3)12(4)5/h1-5H3,(H2,8,9,10)
InChIKeyHQALKEQVLVBRJT-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.25
Rot. Bonds3

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

2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine (PubChem CID 3060553) has the molecular formula C7H17N6OP and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine
PubChem CID3060553
Molecular FormulaC7H17N6OP
Molecular Weight232.23 g/mol
Exact Mass232.12
IUPAC Name2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(P(=O)(N(C)C)N(C)C)n1
InChIInChI=1S/C7H17N6OP/c1-6-9-7(8)13(10-6)15(14,11(2)3)12(4)5/h1-5H3,(H2,8,9,10)
InChIKeyHQALKEQVLVBRJT-UHFFFAOYSA-N
XLogP0.25
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.25
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-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine (CID 3060553) is 2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine is Cc1nc(N)n(P(=O)(N(C)C)N(C)C)n1.
What is the InChIKey of 2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is HQALKEQVLVBRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N6OP/c1-6-9-7(8)13(10-6)15(14,11(2)3)12(4)5/h1-5H3,(H2,8,9,10).
What are the key properties of 2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine?
2-[bis(dimethylamino)phosphoryl]-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 232.23 g/mol, XLogP of 0.25, 3 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-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 3060553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).