3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine

C11H11BrN4 — CID 106896632

IUPAC3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(NCc2cccnn2)c1Br
InChIInChI=1S/C11H11BrN4/c1-8-4-6-13-11(10(8)12)14-7-9-3-2-5-15-16-9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyCGGTYJPAAZRDBG-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.55
Rot. Bonds3

About 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine

3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine (PubChem CID 106896632) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
PubChem CID106896632
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(NCc2cccnn2)c1Br
InChIInChI=1S/C11H11BrN4/c1-8-4-6-13-11(10(8)12)14-7-9-3-2-5-15-16-9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyCGGTYJPAAZRDBG-UHFFFAOYSA-N
XLogP2.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 106897797
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
CID 106876104
3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 106875865
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
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
5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine
CID 106894815
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212
3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid
CID 106897804
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine (CID 106896632) is 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine is Cc1ccnc(NCc2cccnn2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine?
The InChIKey is CGGTYJPAAZRDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-8-4-6-13-11(10(8)12)14-7-9-3-2-5-15-16-9/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine?
3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine has a molecular weight of 279.14 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106896632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).