1,4-diazidopentane

C5H10N6 — CID 10820774

IUPAC1,4-diazidopentane
SMILESCC(CCCN=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C5H10N6/c1-5(9-11-7)3-2-4-8-10-6/h5H,2-4H2,1H3
InChIKeyYVDXMWNKZCKPTP-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.78
Rot. Bonds5

About 1,4-diazidopentane

1,4-diazidopentane (PubChem CID 10820774) has the molecular formula C5H10N6 and a molecular weight of 154.18 g/mol. Its IUPAC name is 1,4-diazidopentane.

Molecular Properties

Compound Name1,4-diazidopentane
PubChem CID10820774
Molecular FormulaC5H10N6
Molecular Weight154.18 g/mol
Exact Mass154.10
IUPAC Name1,4-diazidopentane
SMILESCC(CCCN=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C5H10N6/c1-5(9-11-7)3-2-4-8-10-6/h5H,2-4H2,1H3
InChIKeyYVDXMWNKZCKPTP-UHFFFAOYSA-N
XLogP2.78
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

1-azido-4-methylpentane
CID 58070777
(2R)-2-azidohexadecane
CID 174670947
(2S)-2-azidononane
CID 102115708
(4S)-1-azido-4-fluoropentane
CID 134547070
(12R)-12-azidotridecan-1-ol
CID 102293443
2,4-diazidopentane
CID 78066525
3-azidopropyl(triethoxy)phosphanium
CID 164843743
1-azidobutane
CID 4563922
(2R)-5-azido-2-ethylpentan-1-ol
CID 134846588
4-azidopentyl acetate
CID 118324349
2-azido-1-fluoropropane
CID 90071862
4-azidopentanenitrile
CID 20505518

Frequently Asked Questions

What is the IUPAC name of 1,4-diazidopentane?
The IUPAC name of 1,4-diazidopentane (CID 10820774) is 1,4-diazidopentane.
What is the SMILES notation for 1,4-diazidopentane?
The canonical SMILES for 1,4-diazidopentane is CC(CCCN=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 1,4-diazidopentane?
The InChIKey is YVDXMWNKZCKPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6/c1-5(9-11-7)3-2-4-8-10-6/h5H,2-4H2,1H3.
What are the key properties of 1,4-diazidopentane?
1,4-diazidopentane has a molecular weight of 154.18 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazidopentane is sourced from PubChem (CID 10820774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).