1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine

C15H14N4 — CID 105147444

IUPAC1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
SMILESCNC(c1ccnnc1)c1cncc2ccccc12
InChIInChI=1S/C15H14N4/c1-16-15(12-6-7-18-19-9-12)14-10-17-8-11-4-2-3-5-13(11)14/h2-10,15-16H,1H3
InChIKeyPAXZDZBTLNKREW-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.33
Rot. Bonds3

About 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine

1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine (PubChem CID 105147444) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
PubChem CID105147444
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
SMILESCNC(c1ccnnc1)c1cncc2ccccc12
InChIInChI=1S/C15H14N4/c1-16-15(12-6-7-18-19-9-12)14-10-17-8-11-4-2-3-5-13(11)14/h2-10,15-16H,1H3
InChIKeyPAXZDZBTLNKREW-UHFFFAOYSA-N
XLogP2.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856317
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161
1-(1H-indol-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 112742650
1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 105147366
1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103444277
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
CID 105143467
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-(3-bromo-2-methylphenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856144
1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107975243
[isoquinolin-4-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756551
1-(4,5-dibromothiophen-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856280

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine?
The IUPAC name of 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine (CID 105147444) is 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine.
What is the SMILES notation for 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine?
The canonical SMILES for 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine is CNC(c1ccnnc1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine?
The InChIKey is PAXZDZBTLNKREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-16-15(12-6-7-18-19-9-12)14-10-17-8-11-4-2-3-5-13(11)14/h2-10,15-16H,1H3.
What are the key properties of 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine?
1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine has a molecular weight of 250.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine is sourced from PubChem (CID 105147444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).