4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine

C18H13ClN4O — CID 165049583

IUPAC4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
SMILESClc1ccc(-c2nnc(NCc3ccco3)c3ccncc23)cc1
InChIInChI=1S/C18H13ClN4O/c19-13-5-3-12(4-6-13)17-16-11-20-8-7-15(16)18(23-22-17)21-10-14-2-1-9-24-14/h1-9,11H,10H2,(H,21,23)
InChIKeyPLHXDWDYLXLMFC-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.55
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine

4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine (PubChem CID 165049583) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
PubChem CID165049583
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
SMILESClc1ccc(-c2nnc(NCc3ccco3)c3ccncc23)cc1
InChIInChI=1S/C18H13ClN4O/c19-13-5-3-12(4-6-13)17-16-11-20-8-7-15(16)18(23-22-17)21-10-14-2-1-9-24-14/h1-9,11H,10H2,(H,21,23)
InChIKeyPLHXDWDYLXLMFC-UHFFFAOYSA-N
XLogP4.55
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)-1,2,4-triazin-5-amine
CID 6404722
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 126474871
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 110652412
N-(furan-2-ylmethyl)-5-nitroisoquinolin-8-amine
CID 103141136
4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 6407566
3-fluoro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62733784
5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947351
3-(furan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80508635
5-bromo-3-chloro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 82489662
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine
CID 51362150
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine (CID 165049583) is 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine is Clc1ccc(-c2nnc(NCc3ccco3)c3ccncc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is PLHXDWDYLXLMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-13-5-3-12(4-6-13)17-16-11-20-8-7-15(16)18(23-22-17)21-10-14-2-1-9-24-14/h1-9,11H,10H2,(H,21,23).
What are the key properties of 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine?
4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 336.78 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 165049583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).