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

C10H23N6OP — CID 3060481

IUPAC2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine
SMILESCCCCc1nc(N)n(P(=O)(N(C)C)N(C)C)n1
InChIInChI=1S/C10H23N6OP/c1-6-7-8-9-12-10(11)16(13-9)18(17,14(2)3)15(4)5/h6-8H2,1-5H3,(H2,11,12,13)
InChIKeyDLRAVTCMBQZNGY-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.28
Rot. Bonds6

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

2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine (PubChem CID 3060481) has the molecular formula C10H23N6OP and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine
PubChem CID3060481
Molecular FormulaC10H23N6OP
Molecular Weight274.31 g/mol
Exact Mass274.17
IUPAC Name2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine
SMILESCCCCc1nc(N)n(P(=O)(N(C)C)N(C)C)n1
InChIInChI=1S/C10H23N6OP/c1-6-7-8-9-12-10(11)16(13-9)18(17,14(2)3)15(4)5/h6-8H2,1-5H3,(H2,11,12,13)
InChIKeyDLRAVTCMBQZNGY-UHFFFAOYSA-N
XLogP1.28
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.28
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-butyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine (CID 3060481) is 2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine is CCCCc1nc(N)n(P(=O)(N(C)C)N(C)C)n1.
What is the InChIKey of 2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine?
The InChIKey is DLRAVTCMBQZNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N6OP/c1-6-7-8-9-12-10(11)16(13-9)18(17,14(2)3)15(4)5/h6-8H2,1-5H3,(H2,11,12,13).
What are the key properties of 2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine?
2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine has a molecular weight of 274.31 g/mol, XLogP of 1.28, 6 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-butyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 3060481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).