CID 156641940

C9H13N4O2Po — CID 156641940

IUPAC—
SMILESCN(C)c1ncnc(CCOC(=O)C[Po])n1
InChIInChI=1S/C9H13N4O2.Po/c1-7(14)15-5-4-8-10-6-11-9(12-8)13(2)3;/h6H,1,4-5H2,2-3H3;
InChIKeyXSLXRMFUTFPHCY-UHFFFAOYSA-N
MW418.23 g/mol
LogP-0.39
Rot. Bonds5

About CID 156641940

CID 156641940 (PubChem CID 156641940) has the molecular formula C9H13N4O2Po and a molecular weight of 418.23 g/mol.

Molecular Properties

Compound NameCID 156641940
PubChem CID156641940
Molecular FormulaC9H13N4O2Po
Molecular Weight418.23 g/mol
Exact Mass418.09
IUPAC Name—
SMILESCN(C)c1ncnc(CCOC(=O)C[Po])n1
InChIInChI=1S/C9H13N4O2.Po/c1-7(14)15-5-4-8-10-6-11-9(12-8)13(2)3;/h6H,1,4-5H2,2-3H3;
InChIKeyXSLXRMFUTFPHCY-UHFFFAOYSA-N
XLogP-0.39
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze CID 156641940 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 CID 156641940?
The IUPAC name of CID 156641940 (CID 156641940) is not available.
What is the SMILES notation for CID 156641940?
The canonical SMILES for CID 156641940 is CN(C)c1ncnc(CCOC(=O)C[Po])n1.
What is the InChIKey of CID 156641940?
The InChIKey is XSLXRMFUTFPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N4O2.Po/c1-7(14)15-5-4-8-10-6-11-9(12-8)13(2)3;/h6H,1,4-5H2,2-3H3;.
What are the key properties of CID 156641940?
CID 156641940 has a molecular weight of 418.23 g/mol, XLogP of -0.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156641940 is sourced from PubChem (CID 156641940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).