CID 175233051

C6H12AlN2O — CID 175233051

IUPAC—
SMILESCCc1ncc(C)[nH]1.O.[Al]
InChIInChI=1S/C6H10N2.Al.H2O/c1-3-6-7-4-5(2)8-6;;/h4H,3H2,1-2H3,(H,7,8);;1H2
InChIKeyCZZBABJFHBOPDU-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.08
Rot. Bonds1

About CID 175233051

CID 175233051 (PubChem CID 175233051) has the molecular formula C6H12AlN2O and a molecular weight of 155.16 g/mol.

Molecular Properties

Compound NameCID 175233051
PubChem CID175233051
Molecular FormulaC6H12AlN2O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name—
SMILESCCc1ncc(C)[nH]1.O.[Al]
InChIInChI=1S/C6H10N2.Al.H2O/c1-3-6-7-4-5(2)8-6;;/h4H,3H2,1-2H3,(H,7,8);;1H2
InChIKeyCZZBABJFHBOPDU-UHFFFAOYSA-N
XLogP0.08
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 175233051?
The IUPAC name of CID 175233051 (CID 175233051) is not available.
What is the SMILES notation for CID 175233051?
The canonical SMILES for CID 175233051 is CCc1ncc(C)[nH]1.O.[Al].
What is the InChIKey of CID 175233051?
The InChIKey is CZZBABJFHBOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.Al.H2O/c1-3-6-7-4-5(2)8-6;;/h4H,3H2,1-2H3,(H,7,8);;1H2.
What are the key properties of CID 175233051?
CID 175233051 has a molecular weight of 155.16 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175233051 is sourced from PubChem (CID 175233051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).