N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine

C16H17N5 — CID 45219998

IUPACN-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NCc2nccn2Cc2ccccc2)nn1
InChIInChI=1S/C16H17N5/c1-13-7-8-15(20-19-13)18-11-16-17-9-10-21(16)12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyNLBBCWXKLZNKHU-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.64
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine

N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine (PubChem CID 45219998) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine
PubChem CID45219998
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NCc2nccn2Cc2ccccc2)nn1
InChIInChI=1S/C16H17N5/c1-13-7-8-15(20-19-13)18-11-16-17-9-10-21(16)12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyNLBBCWXKLZNKHU-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 133324119
N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine
CID 133324117
N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 45241917
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324128
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 60514774
N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133433369
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
CID 133324149

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine (CID 45219998) is N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine is Cc1ccc(NCc2nccn2Cc2ccccc2)nn1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine?
The InChIKey is NLBBCWXKLZNKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-13-7-8-15(20-19-13)18-11-16-17-9-10-21(16)12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine?
N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine has a molecular weight of 279.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine is sourced from PubChem (CID 45219998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).