5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine

C11H14BrN5 — CID 103517575

IUPAC5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCCCn1ccnc1
InChIInChI=1S/C11H14BrN5/c12-9-6-15-7-10(13)11(9)16-2-1-4-17-5-3-14-8-17/h3,5-8H,1-2,4,13H2,(H,15,16)
InChIKeyOFDGZEKWHKBFDA-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.12
Rot. Bonds5

About 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine

5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine (PubChem CID 103517575) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine
PubChem CID103517575
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCCCn1ccnc1
InChIInChI=1S/C11H14BrN5/c12-9-6-15-7-10(13)11(9)16-2-1-4-17-5-3-14-8-17/h3,5-8H,1-2,4,13H2,(H,15,16)
InChIKeyOFDGZEKWHKBFDA-UHFFFAOYSA-N
XLogP2.12
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine
CID 103518447
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 64623662
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
5-[(3-amino-5-bromo-4-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154442
3-bromo-4-(3-imidazol-1-ylpropylamino)benzonitrile
CID 82796853
2,5-dibromo-N-(3-imidazol-1-ylpropyl)-4-methylbenzenesulfonamide
CID 81427897
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine (CID 103517575) is 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine is Nc1cncc(Br)c1NCCCn1ccnc1.
What is the InChIKey of 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine?
The InChIKey is OFDGZEKWHKBFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c12-9-6-15-7-10(13)11(9)16-2-1-4-17-5-3-14-8-17/h3,5-8H,1-2,4,13H2,(H,15,16).
What are the key properties of 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine?
5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine has a molecular weight of 296.17 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine is sourced from PubChem (CID 103517575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).