6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine

C11H11BrN4 — CID 117106787

IUPAC6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine
SMILESNc1cc(Cc2ccc(Br)cc2)nnc1N
InChIInChI=1S/C11H11BrN4/c12-8-3-1-7(2-4-8)5-9-6-10(13)11(14)16-15-9/h1-4,6H,5H2,(H2,13,15)(H2,14,16)
InChIKeyKLMMDAHYGKKXBI-UHFFFAOYSA-N
MW279.14 g/mol
LogP1.99
Rot. Bonds2

About 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine

6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine (PubChem CID 117106787) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine
PubChem CID117106787
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine
SMILESNc1cc(Cc2ccc(Br)cc2)nnc1N
InChIInChI=1S/C11H11BrN4/c12-8-3-1-7(2-4-8)5-9-6-10(13)11(14)16-15-9/h1-4,6H,5H2,(H2,13,15)(H2,14,16)
InChIKeyKLMMDAHYGKKXBI-UHFFFAOYSA-N
XLogP1.99
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine?
The IUPAC name of 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine (CID 117106787) is 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine.
What is the SMILES notation for 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine?
The canonical SMILES for 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine is Nc1cc(Cc2ccc(Br)cc2)nnc1N.
What is the InChIKey of 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine?
The InChIKey is KLMMDAHYGKKXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c12-8-3-1-7(2-4-8)5-9-6-10(13)11(14)16-15-9/h1-4,6H,5H2,(H2,13,15)(H2,14,16).
What are the key properties of 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine?
6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine has a molecular weight of 279.14 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl]pyridazine-3,4-diamine is sourced from PubChem (CID 117106787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).