5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine

C10H10BrN5 — CID 106894815

IUPAC5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCc1cccnn1
InChIInChI=1S/C10H10BrN5/c11-7-4-9(12)10(13-5-7)14-6-8-2-1-3-15-16-8/h1-5H,6,12H2,(H,13,14)
InChIKeyMTGCXMGZAALQPH-UHFFFAOYSA-N
MW280.13 g/mol
LogP1.83
Rot. Bonds3

About 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine

5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine (PubChem CID 106894815) has the molecular formula C10H10BrN5 and a molecular weight of 280.13 g/mol. Its IUPAC name is 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine
PubChem CID106894815
Molecular FormulaC10H10BrN5
Molecular Weight280.13 g/mol
Exact Mass279.01
IUPAC Name5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCc1cccnn1
InChIInChI=1S/C10H10BrN5/c11-7-4-9(12)10(13-5-7)14-6-8-2-1-3-15-16-8/h1-5H,6,12H2,(H,13,14)
InChIKeyMTGCXMGZAALQPH-UHFFFAOYSA-N
XLogP1.83
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine
CID 63305917
2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
CID 106894789
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
2-methyl-4-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894769
5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897361
3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897335
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
5-bromo-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 106896897
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine (CID 106894815) is 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine is Nc1cc(Br)cnc1NCc1cccnn1.
What is the InChIKey of 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine?
The InChIKey is MTGCXMGZAALQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5/c11-7-4-9(12)10(13-5-7)14-6-8-2-1-3-15-16-8/h1-5H,6,12H2,(H,13,14).
What are the key properties of 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine?
5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine has a molecular weight of 280.13 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 106894815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).