CID 70528241

C15H15N7NaO2 — CID 70528241

IUPAC—
SMILESCNc1ccc(-c2cc(OC)cc(C(=O)Nc3nn[nH]n3)n2)cc1.[Na]
InChIInChI=1S/C15H15N7O2.Na/c1-16-10-5-3-9(4-6-10)12-7-11(24-2)8-13(17-12)14(23)18-15-19-21-22-20-15;/h3-8,16H,1-2H3,(H2,18,19,20,21,22,23);
InChIKeyNYGHQTZBUMYPHQ-UHFFFAOYSA-N
MW348.32 g/mol
LogP1.18
Rot. Bonds5

About CID 70528241

CID 70528241 (PubChem CID 70528241) has the molecular formula C15H15N7NaO2 and a molecular weight of 348.32 g/mol.

Molecular Properties

Compound NameCID 70528241
PubChem CID70528241
Molecular FormulaC15H15N7NaO2
Molecular Weight348.32 g/mol
Exact Mass348.12
IUPAC Name—
SMILESCNc1ccc(-c2cc(OC)cc(C(=O)Nc3nn[nH]n3)n2)cc1.[Na]
InChIInChI=1S/C15H15N7O2.Na/c1-16-10-5-3-9(4-6-10)12-7-11(24-2)8-13(17-12)14(23)18-15-19-21-22-20-15;/h3-8,16H,1-2H3,(H2,18,19,20,21,22,23);
InChIKeyNYGHQTZBUMYPHQ-UHFFFAOYSA-N
XLogP1.18
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 70528241?
The IUPAC name of CID 70528241 (CID 70528241) is not available.
What is the SMILES notation for CID 70528241?
The canonical SMILES for CID 70528241 is CNc1ccc(-c2cc(OC)cc(C(=O)Nc3nn[nH]n3)n2)cc1.[Na].
What is the InChIKey of CID 70528241?
The InChIKey is NYGHQTZBUMYPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2.Na/c1-16-10-5-3-9(4-6-10)12-7-11(24-2)8-13(17-12)14(23)18-15-19-21-22-20-15;/h3-8,16H,1-2H3,(H2,18,19,20,21,22,23);.
What are the key properties of CID 70528241?
CID 70528241 has a molecular weight of 348.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70528241 is sourced from PubChem (CID 70528241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).