CID 67411928

C7H7N3NaO — CID 67411928

IUPAC—
SMILESCOc1nc2ccncc2[nH]1.[Na]
InChIInChI=1S/C7H7N3O.Na/c1-11-7-9-5-2-3-8-4-6(5)10-7;/h2-4H,1H3,(H,9,10);
InChIKeySNJWENANNHFWSR-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.59
Rot. Bonds1

About CID 67411928

CID 67411928 (PubChem CID 67411928) has the molecular formula C7H7N3NaO and a molecular weight of 172.14 g/mol.

Molecular Properties

Compound NameCID 67411928
PubChem CID67411928
Molecular FormulaC7H7N3NaO
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name—
SMILESCOc1nc2ccncc2[nH]1.[Na]
InChIInChI=1S/C7H7N3O.Na/c1-11-7-9-5-2-3-8-4-6(5)10-7;/h2-4H,1H3,(H,9,10);
InChIKeySNJWENANNHFWSR-UHFFFAOYSA-N
XLogP0.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 67411928?
The IUPAC name of CID 67411928 (CID 67411928) is not available.
What is the SMILES notation for CID 67411928?
The canonical SMILES for CID 67411928 is COc1nc2ccncc2[nH]1.[Na].
What is the InChIKey of CID 67411928?
The InChIKey is SNJWENANNHFWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.Na/c1-11-7-9-5-2-3-8-4-6(5)10-7;/h2-4H,1H3,(H,9,10);.
What are the key properties of CID 67411928?
CID 67411928 has a molecular weight of 172.14 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67411928 is sourced from PubChem (CID 67411928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).