2,4-diazidopentane

C5H10N6 — CID 78066525

IUPAC2,4-diazidopentane
SMILESCC(CC(C)N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C5H10N6/c1-4(8-10-6)3-5(2)9-11-7/h4-5H,3H2,1-2H3
InChIKeyAWJFANPWIBNSDY-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.77
Rot. Bonds4

About 2,4-diazidopentane

2,4-diazidopentane (PubChem CID 78066525) has the molecular formula C5H10N6 and a molecular weight of 154.18 g/mol. Its IUPAC name is 2,4-diazidopentane.

Molecular Properties

Compound Name2,4-diazidopentane
PubChem CID78066525
Molecular FormulaC5H10N6
Molecular Weight154.18 g/mol
Exact Mass154.10
IUPAC Name2,4-diazidopentane
SMILESCC(CC(C)N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C5H10N6/c1-4(8-10-6)3-5(2)9-11-7/h4-5H,3H2,1-2H3
InChIKeyAWJFANPWIBNSDY-UHFFFAOYSA-N
XLogP2.77
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 2,4-diazidopentane?
The IUPAC name of 2,4-diazidopentane (CID 78066525) is 2,4-diazidopentane.
What is the SMILES notation for 2,4-diazidopentane?
The canonical SMILES for 2,4-diazidopentane is CC(CC(C)N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 2,4-diazidopentane?
The InChIKey is AWJFANPWIBNSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6/c1-4(8-10-6)3-5(2)9-11-7/h4-5H,3H2,1-2H3.
What are the key properties of 2,4-diazidopentane?
2,4-diazidopentane has a molecular weight of 154.18 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazidopentane is sourced from PubChem (CID 78066525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).