CID 160903847

C17H12N6NaO3 — CID 160903847

IUPAC—
SMILESO=C(Nc1nn[nH]n1)c1c(Oc2ccccc2)cc(=O)n2ccccc12.[Na]
InChIInChI=1S/C17H12N6O3.Na/c24-14-10-13(26-11-6-2-1-3-7-11)15(12-8-4-5-9-23(12)14)16(25)18-17-19-21-22-20-17;/h1-10H,(H2,18,19,20,21,22,25);
InChIKeyVXBHWGKWIYZCPW-UHFFFAOYSA-N
MW371.31 g/mol
LogP1.48
Rot. Bonds4

About CID 160903847

CID 160903847 (PubChem CID 160903847) has the molecular formula C17H12N6NaO3 and a molecular weight of 371.31 g/mol.

Molecular Properties

Compound NameCID 160903847
PubChem CID160903847
Molecular FormulaC17H12N6NaO3
Molecular Weight371.31 g/mol
Exact Mass371.09
IUPAC Name—
SMILESO=C(Nc1nn[nH]n1)c1c(Oc2ccccc2)cc(=O)n2ccccc12.[Na]
InChIInChI=1S/C17H12N6O3.Na/c24-14-10-13(26-11-6-2-1-3-7-11)15(12-8-4-5-9-23(12)14)16(25)18-17-19-21-22-20-17;/h1-10H,(H2,18,19,20,21,22,25);
InChIKeyVXBHWGKWIYZCPW-UHFFFAOYSA-N
XLogP1.48
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 160903847?
The IUPAC name of CID 160903847 (CID 160903847) is not available.
What is the SMILES notation for CID 160903847?
The canonical SMILES for CID 160903847 is O=C(Nc1nn[nH]n1)c1c(Oc2ccccc2)cc(=O)n2ccccc12.[Na].
What is the InChIKey of CID 160903847?
The InChIKey is VXBHWGKWIYZCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O3.Na/c24-14-10-13(26-11-6-2-1-3-7-11)15(12-8-4-5-9-23(12)14)16(25)18-17-19-21-22-20-17;/h1-10H,(H2,18,19,20,21,22,25);.
What are the key properties of CID 160903847?
CID 160903847 has a molecular weight of 371.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160903847 is sourced from PubChem (CID 160903847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).