3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine

C17H12ClN5O — CID 134822326

IUPAC3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine
SMILESCc1nc(-c2ccco2)nc2nnc(-c3ccccc3Cl)c(N)c12
InChIInChI=1S/C17H12ClN5O/c1-9-13-14(19)15(10-5-2-3-6-11(10)18)22-23-17(13)21-16(20-9)12-7-4-8-24-12/h2-8H,1H3,(H2,19,20,21,23)
InChIKeyYPMRQNZQSKYMMO-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.89
Rot. Bonds2

About 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine

3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine (PubChem CID 134822326) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine
PubChem CID134822326
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine
SMILESCc1nc(-c2ccco2)nc2nnc(-c3ccccc3Cl)c(N)c12
InChIInChI=1S/C17H12ClN5O/c1-9-13-14(19)15(10-5-2-3-6-11(10)18)22-23-17(13)21-16(20-9)12-7-4-8-24-12/h2-8H,1H3,(H2,19,20,21,23)
InChIKeyYPMRQNZQSKYMMO-UHFFFAOYSA-N
XLogP3.89
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine?
The IUPAC name of 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine (CID 134822326) is 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine is Cc1nc(-c2ccco2)nc2nnc(-c3ccccc3Cl)c(N)c12.
What is the InChIKey of 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine?
The InChIKey is YPMRQNZQSKYMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c1-9-13-14(19)15(10-5-2-3-6-11(10)18)22-23-17(13)21-16(20-9)12-7-4-8-24-12/h2-8H,1H3,(H2,19,20,21,23).
What are the key properties of 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine?
3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine has a molecular weight of 337.77 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-7-(furan-2-yl)-5-methylpyrimido[4,5-c]pyridazin-4-amine is sourced from PubChem (CID 134822326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).