3-bromo-5-methylpyridazin-4-amine

C5H6BrN3 — CID 82405237

IUPAC3-bromo-5-methylpyridazin-4-amine
SMILESCc1cnnc(Br)c1N
InChIInChI=1S/C5H6BrN3/c1-3-2-8-9-5(6)4(3)7/h2H,1H3,(H2,7,8)
InChIKeyQGWJNFRCOWFORM-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.13
Rot. Bonds

About 3-bromo-5-methylpyridazin-4-amine

3-bromo-5-methylpyridazin-4-amine (PubChem CID 82405237) has the molecular formula C5H6BrN3 and a molecular weight of 188.03 g/mol. Its IUPAC name is 3-bromo-5-methylpyridazin-4-amine.

Molecular Properties

Compound Name3-bromo-5-methylpyridazin-4-amine
PubChem CID82405237
Molecular FormulaC5H6BrN3
Molecular Weight188.03 g/mol
Exact Mass186.97
IUPAC Name3-bromo-5-methylpyridazin-4-amine
SMILESCc1cnnc(Br)c1N
InChIInChI=1S/C5H6BrN3/c1-3-2-8-9-5(6)4(3)7/h2H,1H3,(H2,7,8)
InChIKeyQGWJNFRCOWFORM-UHFFFAOYSA-N
XLogP1.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-5-methylpyridin-4-amine;ethane
CID 144999023
2,6-dibromo-4-methylpyridin-3-amine
CID 14418048
5-methylpyridazin-4-amine
CID 55291341
3-bromo-4-chloro-5-methylpyridin-2-amine
CID 130058362
2-bromo-6-methoxy-4-methylpyridin-3-amine
CID 19960055
ethane;3,4,5-trimethylpyridazine
CID 142187300
3-chloro-4-ethyl-5-methylpyridazine
CID 174572553
5-methylpyridazin-3-amine;hydrochloride
CID 133054102
(5-methylpyridazin-4-yl)urea
CID 130738499
3-bromo-6-methylpyrazin-2-amine
CID 129011231
2-bromo-4-chloro-6-methylaniline
CID 20543754
5-(1-chlorocyclopropyl)pyridazine-3,4-diamine
CID 90220893

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methylpyridazin-4-amine?
The IUPAC name of 3-bromo-5-methylpyridazin-4-amine (CID 82405237) is 3-bromo-5-methylpyridazin-4-amine.
What is the SMILES notation for 3-bromo-5-methylpyridazin-4-amine?
The canonical SMILES for 3-bromo-5-methylpyridazin-4-amine is Cc1cnnc(Br)c1N.
What is the InChIKey of 3-bromo-5-methylpyridazin-4-amine?
The InChIKey is QGWJNFRCOWFORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3/c1-3-2-8-9-5(6)4(3)7/h2H,1H3,(H2,7,8).
What are the key properties of 3-bromo-5-methylpyridazin-4-amine?
3-bromo-5-methylpyridazin-4-amine has a molecular weight of 188.03 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methylpyridazin-4-amine is sourced from PubChem (CID 82405237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).