[1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane

C10H9N4P — CID 123748075

IUPAC[1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane
SMILESPCc1nc2c3ncccc3ccn2n1
InChIInChI=1S/C10H9N4P/c15-6-8-12-10-9-7(2-1-4-11-9)3-5-14(10)13-8/h1-5H,6,15H2
InChIKeySRFPKAZWKNLTHC-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.65
Rot. Bonds1

About [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane

[1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane (PubChem CID 123748075) has the molecular formula C10H9N4P and a molecular weight of 216.18 g/mol. Its IUPAC name is [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane.

Molecular Properties

Compound Name[1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane
PubChem CID123748075
Molecular FormulaC10H9N4P
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name[1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane
SMILESPCc1nc2c3ncccc3ccn2n1
InChIInChI=1S/C10H9N4P/c15-6-8-12-10-9-7(2-1-4-11-9)3-5-14(10)13-8/h1-5H,6,15H2
InChIKeySRFPKAZWKNLTHC-UHFFFAOYSA-N
XLogP1.65
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane?
The IUPAC name of [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane (CID 123748075) is [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane.
What is the SMILES notation for [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane?
The canonical SMILES for [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane is PCc1nc2c3ncccc3ccn2n1.
What is the InChIKey of [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane?
The InChIKey is SRFPKAZWKNLTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N4P/c15-6-8-12-10-9-7(2-1-4-11-9)3-5-14(10)13-8/h1-5H,6,15H2.
What are the key properties of [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane?
[1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane has a molecular weight of 216.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[1,5-h][1,7]naphthyridin-2-ylmethylphosphane is sourced from PubChem (CID 123748075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).