CID 175020702

C7H6N4OPb — CID 175020702

IUPAC—
SMILESOc1ccc(-c2nn[nH]n2)cc1.[Pb]
InChIInChI=1S/C7H6N4O.Pb/c12-6-3-1-5(2-4-6)7-8-10-11-9-7;/h1-4,12H,(H,8,9,10,11);
InChIKeyHUNAPWGCKUJWRN-UHFFFAOYSA-N
MW369.35 g/mol
LogP0.19
Rot. Bonds1

About CID 175020702

CID 175020702 (PubChem CID 175020702) has the molecular formula C7H6N4OPb and a molecular weight of 369.35 g/mol.

Molecular Properties

Compound NameCID 175020702
PubChem CID175020702
Molecular FormulaC7H6N4OPb
Molecular Weight369.35 g/mol
Exact Mass370.03
IUPAC Name—
SMILESOc1ccc(-c2nn[nH]n2)cc1.[Pb]
InChIInChI=1S/C7H6N4O.Pb/c12-6-3-1-5(2-4-6)7-8-10-11-9-7;/h1-4,12H,(H,8,9,10,11);
InChIKeyHUNAPWGCKUJWRN-UHFFFAOYSA-N
XLogP0.19
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-[4-(trioxidanylsulfanyl)phenyl]-2H-tetrazole
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5-(4-ethylsulfanylphenyl)-2H-tetrazole
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Frequently Asked Questions

What is the IUPAC name of CID 175020702?
The IUPAC name of CID 175020702 (CID 175020702) is not available.
What is the SMILES notation for CID 175020702?
The canonical SMILES for CID 175020702 is Oc1ccc(-c2nn[nH]n2)cc1.[Pb].
What is the InChIKey of CID 175020702?
The InChIKey is HUNAPWGCKUJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O.Pb/c12-6-3-1-5(2-4-6)7-8-10-11-9-7;/h1-4,12H,(H,8,9,10,11);.
What are the key properties of CID 175020702?
CID 175020702 has a molecular weight of 369.35 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175020702 is sourced from PubChem (CID 175020702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).