CID 89024793

C5H12BN3 — CID 89024793

IUPAC—
SMILES[B]N1CCC(NN)CC1
InChIInChI=1S/C5H12BN3/c6-9-3-1-5(8-7)2-4-9/h5,8H,1-4,7H2
InChIKeyZSGPOZKFUOEAKU-UHFFFAOYSA-N
MW124.98 g/mol
LogP-1.00
Rot. Bonds1

About CID 89024793

CID 89024793 (PubChem CID 89024793) has the molecular formula C5H12BN3 and a molecular weight of 124.98 g/mol.

Molecular Properties

Compound NameCID 89024793
PubChem CID89024793
Molecular FormulaC5H12BN3
Molecular Weight124.98 g/mol
Exact Mass125.11
IUPAC Name—
SMILES[B]N1CCC(NN)CC1
InChIInChI=1S/C5H12BN3/c6-9-3-1-5(8-7)2-4-9/h5,8H,1-4,7H2
InChIKeyZSGPOZKFUOEAKU-UHFFFAOYSA-N
XLogP-1.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.98
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-tert-butylpiperidin-4-yl)hydrazine
CID 21097250
[1-(cyclopropylmethyl)piperidin-4-yl]hydrazine
CID 165476320
(1-phosphanylpyrrolidin-3-yl)hydrazine
CID 118445252
4-hydrazinyl-1-(sulfamoylamino)piperidine
CID 68844000
cyclopentylhydrazine;hydron;chloride
CID 74765232
cyclohexylhydrazine;dihydrochloride
CID 45074971
4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride
CID 174690434
(1-phosphanylazecan-5-yl)hydrazine
CID 138563840
(1,2-dimethylpiperidin-4-yl)hydrazine
CID 55281806
[(2S,4S)-1,2-dimethylpiperidin-4-yl]hydrazine;hydrochloride
CID 170897700
hydron;oxan-4-ylhydrazine;hydrochloride
CID 173048911
tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine
CID 174702335

Frequently Asked Questions

What is the IUPAC name of CID 89024793?
The IUPAC name of CID 89024793 (CID 89024793) is not available.
What is the SMILES notation for CID 89024793?
The canonical SMILES for CID 89024793 is [B]N1CCC(NN)CC1.
What is the InChIKey of CID 89024793?
The InChIKey is ZSGPOZKFUOEAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BN3/c6-9-3-1-5(8-7)2-4-9/h5,8H,1-4,7H2.
What are the key properties of CID 89024793?
CID 89024793 has a molecular weight of 124.98 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89024793 is sourced from PubChem (CID 89024793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).