CID 173049988

C6H15AlN3 — CID 173049988

IUPAC—
SMILESCCC[Al]CCC.[N-]=[N+]=N
InChIInChI=1S/2C3H7.Al.HN3/c2*1-3-2;;1-3-2/h2*1,3H2,2H3;;1H
InChIKeyFSPBWOPHVFOIKX-UHFFFAOYSA-N
MW156.19 g/mol
LogP3.22
Rot. Bonds4

About CID 173049988

CID 173049988 (PubChem CID 173049988) has the molecular formula C6H15AlN3 and a molecular weight of 156.19 g/mol.

Molecular Properties

Compound NameCID 173049988
PubChem CID173049988
Molecular FormulaC6H15AlN3
Molecular Weight156.19 g/mol
Exact Mass156.11
IUPAC Name—
SMILESCCC[Al]CCC.[N-]=[N+]=N
InChIInChI=1S/2C3H7.Al.HN3/c2*1-3-2;;1-3-2/h2*1,3H2,2H3;;1H
InChIKeyFSPBWOPHVFOIKX-UHFFFAOYSA-N
XLogP3.22
TPSA60.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173049988?
The IUPAC name of CID 173049988 (CID 173049988) is not available.
What is the SMILES notation for CID 173049988?
The canonical SMILES for CID 173049988 is CCC[Al]CCC.[N-]=[N+]=N.
What is the InChIKey of CID 173049988?
The InChIKey is FSPBWOPHVFOIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7.Al.HN3/c2*1-3-2;;1-3-2/h2*1,3H2,2H3;;1H.
What are the key properties of CID 173049988?
CID 173049988 has a molecular weight of 156.19 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173049988 is sourced from PubChem (CID 173049988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).