[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine

C12H20BrN3O — CID 105334758

IUPAC[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C12H20BrN3O/c1-2-4-17-5-3-12(16-14)7-10-6-11(13)9-15-8-10/h6,8-9,12,16H,2-5,7,14H2,1H3
InChIKeyPAGKLHZBGZWUMB-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.04
Rot. Bonds8

About [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine

[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine (PubChem CID 105334758) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
PubChem CID105334758
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C12H20BrN3O/c1-2-4-17-5-3-12(16-14)7-10-6-11(13)9-15-8-10/h6,8-9,12,16H,2-5,7,14H2,1H3
InChIKeyPAGKLHZBGZWUMB-UHFFFAOYSA-N
XLogP2.04
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928454
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105243945
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine
CID 105334788
3-(5-bromo-3-pyridinyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244614
[1-(4-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283291
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283445
[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105204924
1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
CID 105036982

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine (CID 105334758) is [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine is CCCOCCC(Cc1cncc(Br)c1)NN.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine?
The InChIKey is PAGKLHZBGZWUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-2-4-17-5-3-12(16-14)7-10-6-11(13)9-15-8-10/h6,8-9,12,16H,2-5,7,14H2,1H3.
What are the key properties of [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine?
[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine has a molecular weight of 302.22 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105334758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).