[1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid

C10H14N5O4P — CID 130427538

IUPAC[1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid
SMILESNc1ncnc2c(CC3(OCP(=O)(O)O)CC3)cnn12
InChIInChI=1S/C10H14N5O4P/c11-9-13-5-12-8-7(4-14-15(8)9)3-10(1-2-10)19-6-20(16,17)18/h4-5H,1-3,6H2,(H2,11,12,13)(H2,16,17,18)
InChIKeyHBEGCGHNMASHJZ-UHFFFAOYSA-N
MW299.23 g/mol
LogP-0.07
Rot. Bonds5

About [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid

[1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid (PubChem CID 130427538) has the molecular formula C10H14N5O4P and a molecular weight of 299.23 g/mol. Its IUPAC name is [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid
PubChem CID130427538
Molecular FormulaC10H14N5O4P
Molecular Weight299.23 g/mol
Exact Mass299.08
IUPAC Name[1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid
SMILESNc1ncnc2c(CC3(OCP(=O)(O)O)CC3)cnn12
InChIInChI=1S/C10H14N5O4P/c11-9-13-5-12-8-7(4-14-15(8)9)3-10(1-2-10)19-6-20(16,17)18/h4-5H,1-3,6H2,(H2,11,12,13)(H2,16,17,18)
InChIKeyHBEGCGHNMASHJZ-UHFFFAOYSA-N
XLogP-0.07
TPSA135.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
The IUPAC name of [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid (CID 130427538) is [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid.
What is the SMILES notation for [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
The canonical SMILES for [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid is Nc1ncnc2c(CC3(OCP(=O)(O)O)CC3)cnn12.
What is the InChIKey of [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
The InChIKey is HBEGCGHNMASHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N5O4P/c11-9-13-5-12-8-7(4-14-15(8)9)3-10(1-2-10)19-6-20(16,17)18/h4-5H,1-3,6H2,(H2,11,12,13)(H2,16,17,18).
What are the key properties of [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid?
[1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid has a molecular weight of 299.23 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl]cyclopropyl]oxymethylphosphonic acid is sourced from PubChem (CID 130427538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).