2,4-diazabicyclo[1.1.1]pentane

C3H6N2 — CID 101033325

IUPAC2,4-diazabicyclo[1.1.1]pentane
SMILESC1C2NC1N2
InChIInChI=1S/C3H6N2/c1-2-4-3(1)5-2/h2-5H,1H2
InChIKeyQCQVZCGCTMZGQH-UHFFFAOYSA-N
MW70.10 g/mol
LogP-0.76
Rot. Bonds

About 2,4-diazabicyclo[1.1.1]pentane

2,4-diazabicyclo[1.1.1]pentane (PubChem CID 101033325) has the molecular formula C3H6N2 and a molecular weight of 70.10 g/mol. Its IUPAC name is 2,4-diazabicyclo[1.1.1]pentane.

Molecular Properties

Compound Name2,4-diazabicyclo[1.1.1]pentane
PubChem CID101033325
Molecular FormulaC3H6N2
Molecular Weight70.10 g/mol
Exact Mass70.05
IUPAC Name2,4-diazabicyclo[1.1.1]pentane
SMILESC1C2NC1N2
InChIInChI=1S/C3H6N2/c1-2-4-3(1)5-2/h2-5H,1H2
InChIKeyQCQVZCGCTMZGQH-UHFFFAOYSA-N
XLogP-0.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.10
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-azabicyclo[3.1.1]heptane-2,4-diol
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(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
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(2,6-dimethylpiperidin-4-yl)phosphane
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6-azabicyclo[3.1.1]heptane;methanol
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3-cyclopropyl-8-azabicyclo[3.2.1]octane
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Frequently Asked Questions

What is the IUPAC name of 2,4-diazabicyclo[1.1.1]pentane?
The IUPAC name of 2,4-diazabicyclo[1.1.1]pentane (CID 101033325) is 2,4-diazabicyclo[1.1.1]pentane.
What is the SMILES notation for 2,4-diazabicyclo[1.1.1]pentane?
The canonical SMILES for 2,4-diazabicyclo[1.1.1]pentane is C1C2NC1N2.
What is the InChIKey of 2,4-diazabicyclo[1.1.1]pentane?
The InChIKey is QCQVZCGCTMZGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2/c1-2-4-3(1)5-2/h2-5H,1H2.
What are the key properties of 2,4-diazabicyclo[1.1.1]pentane?
2,4-diazabicyclo[1.1.1]pentane has a molecular weight of 70.10 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazabicyclo[1.1.1]pentane is sourced from PubChem (CID 101033325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).