N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine

C14H17N3 — CID 104670125

IUPACN-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine
SMILESCc1cc(CNCc2ccccc2)c(C)nn1
InChIInChI=1S/C14H17N3/c1-11-8-14(12(2)17-16-11)10-15-9-13-6-4-3-5-7-13/h3-8,15H,9-10H2,1-2H3
InChIKeyVREBQJFQAGDBJM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.38
Rot. Bonds4

About N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine

N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine (PubChem CID 104670125) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine
PubChem CID104670125
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine
SMILESCc1cc(CNCc2ccccc2)c(C)nn1
InChIInChI=1S/C14H17N3/c1-11-8-14(12(2)17-16-11)10-15-9-13-6-4-3-5-7-13/h3-8,15H,9-10H2,1-2H3
InChIKeyVREBQJFQAGDBJM-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine
CID 130854459
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine
CID 104670093
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
2-[(benzylamino)methyl]-4-methylaniline
CID 12628937
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
CID 70442876
N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 102536498
N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine
CID 103990933
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652
2-[(benzylamino)methyl]phenol chloride
CID 53350489

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine (CID 104670125) is N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine is Cc1cc(CNCc2ccccc2)c(C)nn1.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is VREBQJFQAGDBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-8-14(12(2)17-16-11)10-15-9-13-6-4-3-5-7-13/h3-8,15H,9-10H2,1-2H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine?
N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 104670125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).