CID 6331251

C8H11KN5O4 — CID 6331251

IUPAC—
SMILESCC(Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.[K]
InChIInChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);
InChIKeyGOXGQJNGOFKUOK-UHFFFAOYSA-N
MW280.31 g/mol
LogP-0.74
Rot. Bonds4

About CID 6331251

CID 6331251 (PubChem CID 6331251) has the molecular formula C8H11KN5O4 and a molecular weight of 280.31 g/mol.

Molecular Properties

Compound NameCID 6331251
PubChem CID6331251
Molecular FormulaC8H11KN5O4
Molecular Weight280.31 g/mol
Exact Mass280.04
IUPAC Name—
SMILESCC(Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.[K]
InChIInChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);
InChIKeyGOXGQJNGOFKUOK-UHFFFAOYSA-N
XLogP-0.74
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 6331251?
The IUPAC name of CID 6331251 (CID 6331251) is not available.
What is the SMILES notation for CID 6331251?
The canonical SMILES for CID 6331251 is CC(Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.[K].
What is the InChIKey of CID 6331251?
The InChIKey is GOXGQJNGOFKUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);.
What are the key properties of CID 6331251?
CID 6331251 has a molecular weight of 280.31 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6331251 is sourced from PubChem (CID 6331251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).