4,5-dibromopyrazolidin-3-amine

C3H7Br2N3 — CID 170906375

IUPAC4,5-dibromopyrazolidin-3-amine
SMILESNC1NNC(Br)C1Br
InChIInChI=1S/C3H7Br2N3/c4-1-2(5)7-8-3(1)6/h1-3,7-8H,6H2
InChIKeyXZLRVRCXGTUVCW-UHFFFAOYSA-N
MW244.92 g/mol
LogP-0.14
Rot. Bonds

About 4,5-dibromopyrazolidin-3-amine

4,5-dibromopyrazolidin-3-amine (PubChem CID 170906375) has the molecular formula C3H7Br2N3 and a molecular weight of 244.92 g/mol. Its IUPAC name is 4,5-dibromopyrazolidin-3-amine.

Molecular Properties

Compound Name4,5-dibromopyrazolidin-3-amine
PubChem CID170906375
Molecular FormulaC3H7Br2N3
Molecular Weight244.92 g/mol
Exact Mass242.90
IUPAC Name4,5-dibromopyrazolidin-3-amine
SMILESNC1NNC(Br)C1Br
InChIInChI=1S/C3H7Br2N3/c4-1-2(5)7-8-3(1)6/h1-3,7-8H,6H2
InChIKeyXZLRVRCXGTUVCW-UHFFFAOYSA-N
XLogP-0.14
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.92
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3S)-4-bromodiazetidin-3-ol
CID 174114559
4-bromo-5-(4-bromophenyl)pyrazolidin-3-amine
CID 138059026
3,5-dibromopyrrolidin-2-amine
CID 150457500
(3S,4S)-4-(1,2-dihydroazet-2-yl)diazetidin-3-amine
CID 155402903
1,3-diazetidin-2-ol
CID 153343203
5-bromo-1,2,4-triazolidin-3-ol
CID 170906450
(3S,4S)-4-bromopyrrolidin-3-ol
CID 67334722
diaminoiodanium
CID 22005934
5-methyl-4-nitropyrazolidin-3-amine
CID 168833234
4-bromo-5-methylpyrazolidine-3-carboxamide
CID 170905595
4-amino-5-bromo-1,3-diazinan-2-one
CID 56624234
5,6-dibromopiperazine-2,3-dione
CID 175346621

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromopyrazolidin-3-amine?
The IUPAC name of 4,5-dibromopyrazolidin-3-amine (CID 170906375) is 4,5-dibromopyrazolidin-3-amine.
What is the SMILES notation for 4,5-dibromopyrazolidin-3-amine?
The canonical SMILES for 4,5-dibromopyrazolidin-3-amine is NC1NNC(Br)C1Br.
What is the InChIKey of 4,5-dibromopyrazolidin-3-amine?
The InChIKey is XZLRVRCXGTUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Br2N3/c4-1-2(5)7-8-3(1)6/h1-3,7-8H,6H2.
What are the key properties of 4,5-dibromopyrazolidin-3-amine?
4,5-dibromopyrazolidin-3-amine has a molecular weight of 244.92 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromopyrazolidin-3-amine is sourced from PubChem (CID 170906375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).