CID 57497885

C3H3AlN3O3 — CID 57497885

IUPAC—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Al]
InChIInChI=1S/C3H3N3O3.Al/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);
InChIKeyLCVVERAYPHNPSP-UHFFFAOYSA-N
MW156.06 g/mol
LogP-2.63
Rot. Bonds

About CID 57497885

CID 57497885 (PubChem CID 57497885) has the molecular formula C3H3AlN3O3 and a molecular weight of 156.06 g/mol.

Molecular Properties

Compound NameCID 57497885
PubChem CID57497885
Molecular FormulaC3H3AlN3O3
Molecular Weight156.06 g/mol
Exact Mass156.00
IUPAC Name—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Al]
InChIInChI=1S/C3H3N3O3.Al/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);
InChIKeyLCVVERAYPHNPSP-UHFFFAOYSA-N
XLogP-2.63
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 5-2.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 57497885?
The IUPAC name of CID 57497885 (CID 57497885) is not available.
What is the SMILES notation for CID 57497885?
The canonical SMILES for CID 57497885 is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Al].
What is the InChIKey of CID 57497885?
The InChIKey is LCVVERAYPHNPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.Al/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);.
What are the key properties of CID 57497885?
CID 57497885 has a molecular weight of 156.06 g/mol, XLogP of -2.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57497885 is sourced from PubChem (CID 57497885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).