(2S)-N'-diazenylpyrrolidine-2-carboximidamide

C5H11N5 — CID 136506312

IUPAC(2S)-N'-diazenylpyrrolidine-2-carboximidamide
SMILES[H]/N=N/N=C(\N)[C@@H]1CCCN1
InChIInChI=1S/C5H11N5/c6-5(9-10-7)4-2-1-3-8-4/h4,8H,1-3H2,(H3,6,7,9)/t4-/m0/s1
InChIKeyYOJKPESDZIVSOR-BYPYZUCNSA-N
MW141.18 g/mol
LogP0.04
Rot. Bonds2

About (2S)-N'-diazenylpyrrolidine-2-carboximidamide

(2S)-N'-diazenylpyrrolidine-2-carboximidamide (PubChem CID 136506312) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is (2S)-N'-diazenylpyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name(2S)-N'-diazenylpyrrolidine-2-carboximidamide
PubChem CID136506312
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name(2S)-N'-diazenylpyrrolidine-2-carboximidamide
SMILES[H]/N=N/N=C(\N)[C@@H]1CCCN1
InChIInChI=1S/C5H11N5/c6-5(9-10-7)4-2-1-3-8-4/h4,8H,1-3H2,(H3,6,7,9)/t4-/m0/s1
InChIKeyYOJKPESDZIVSOR-BYPYZUCNSA-N
XLogP0.04
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N'-diazenylpyrrolidine-2-carboximidamide?
The IUPAC name of (2S)-N'-diazenylpyrrolidine-2-carboximidamide (CID 136506312) is (2S)-N'-diazenylpyrrolidine-2-carboximidamide.
What is the SMILES notation for (2S)-N'-diazenylpyrrolidine-2-carboximidamide?
The canonical SMILES for (2S)-N'-diazenylpyrrolidine-2-carboximidamide is [H]/N=N/N=C(\N)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N'-diazenylpyrrolidine-2-carboximidamide?
The InChIKey is YOJKPESDZIVSOR-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11N5/c6-5(9-10-7)4-2-1-3-8-4/h4,8H,1-3H2,(H3,6,7,9)/t4-/m0/s1.
What are the key properties of (2S)-N'-diazenylpyrrolidine-2-carboximidamide?
(2S)-N'-diazenylpyrrolidine-2-carboximidamide has a molecular weight of 141.18 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-diazenylpyrrolidine-2-carboximidamide is sourced from PubChem (CID 136506312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).