CID 175881771

C6H6CaN2 — CID 175881771

IUPAC—
SMILES[Ca].[H]/N=c1\cccccn1
InChIInChI=1S/C6H6N2.Ca/c7-6-4-2-1-3-5-8-6;/h1-5,7H;/b7-6+;
InChIKeyWZTBVIWLLKSULH-UHDJGPCESA-N
MW146.21 g/mol
LogP0.18
Rot. Bonds

About CID 175881771

CID 175881771 (PubChem CID 175881771) has the molecular formula C6H6CaN2 and a molecular weight of 146.21 g/mol.

Molecular Properties

Compound NameCID 175881771
PubChem CID175881771
Molecular FormulaC6H6CaN2
Molecular Weight146.21 g/mol
Exact Mass146.02
IUPAC Name—
SMILES[Ca].[H]/N=c1\cccccn1
InChIInChI=1S/C6H6N2.Ca/c7-6-4-2-1-3-5-8-6;/h1-5,7H;/b7-6+;
InChIKeyWZTBVIWLLKSULH-UHDJGPCESA-N
XLogP0.18
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175881771?
The IUPAC name of CID 175881771 (CID 175881771) is not available.
What is the SMILES notation for CID 175881771?
The canonical SMILES for CID 175881771 is [Ca].[H]/N=c1\cccccn1.
What is the InChIKey of CID 175881771?
The InChIKey is WZTBVIWLLKSULH-UHDJGPCESA-N. The full InChI is InChI=1S/C6H6N2.Ca/c7-6-4-2-1-3-5-8-6;/h1-5,7H;/b7-6+;.
What are the key properties of CID 175881771?
CID 175881771 has a molecular weight of 146.21 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175881771 is sourced from PubChem (CID 175881771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).