(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone

C12H18BrN5O — CID 62238043

IUPAC(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C12H18BrN5O/c1-2-17-3-5-18(6-4-17)12(19)10-7-9(13)8-15-11(10)16-14/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyIIUSJOURGVIVCQ-UHFFFAOYSA-N
MW328.21 g/mol
LogP0.91
Rot. Bonds3

About (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone

(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 62238043) has the molecular formula C12H18BrN5O and a molecular weight of 328.21 g/mol. Its IUPAC name is (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID62238043
Molecular FormulaC12H18BrN5O
Molecular Weight328.21 g/mol
Exact Mass327.07
IUPAC Name(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C12H18BrN5O/c1-2-17-3-5-18(6-4-17)12(19)10-7-9(13)8-15-11(10)16-14/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyIIUSJOURGVIVCQ-UHFFFAOYSA-N
XLogP0.91
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161789
(5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187114
(5-bromo-2-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62969257
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168742
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62237445
[5-bromo-3-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61301039
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 114401197
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
CID 62176736
(5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780192
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63838972

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone (CID 62238043) is (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(Br)cnc2NN)CC1.
What is the InChIKey of (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is IIUSJOURGVIVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5O/c1-2-17-3-5-18(6-4-17)12(19)10-7-9(13)8-15-11(10)16-14/h7-8H,2-6,14H2,1H3,(H,15,16).
What are the key properties of (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 328.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 62238043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).