5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one

C14H18N4O — CID 82446535

IUPAC5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one
SMILESCC(C)CNCc1cc(-c2ccccn2)n[nH]c1=O
InChIInChI=1S/C14H18N4O/c1-10(2)8-15-9-11-7-13(17-18-14(11)19)12-5-3-4-6-16-12/h3-7,10,15H,8-9H2,1-2H3,(H,18,19)
InChIKeyVHQCSEHQUDOPAU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.58
Rot. Bonds5

About 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one

5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one (PubChem CID 82446535) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one
PubChem CID82446535
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one
SMILESCC(C)CNCc1cc(-c2ccccn2)n[nH]c1=O
InChIInChI=1S/C14H18N4O/c1-10(2)8-15-9-11-7-13(17-18-14(11)19)12-5-3-4-6-16-12/h3-7,10,15H,8-9H2,1-2H3,(H,18,19)
InChIKeyVHQCSEHQUDOPAU-UHFFFAOYSA-N
XLogP1.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one
CID 82446530
2-methyl-N-[(3-pyridin-2-ylphenyl)methyl]propan-1-amine
CID 122602486
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
CID 82445862
4-(chloromethyl)-2-(2-methylpropyl)-6-pyridin-2-ylpyridazin-3-one
CID 82447474
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one
CID 82446197
3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
CID 2811840

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one (CID 82446535) is 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one is CC(C)CNCc1cc(-c2ccccn2)n[nH]c1=O.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one?
The InChIKey is VHQCSEHQUDOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)8-15-9-11-7-13(17-18-14(11)19)12-5-3-4-6-16-12/h3-7,10,15H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one?
5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one has a molecular weight of 258.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-3-pyridin-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 82446535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).