4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one

C9H11N5O — CID 114392212

IUPAC4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one
SMILESCn1ccnc1CNc1cn[nH]c(=O)c1
InChIInChI=1S/C9H11N5O/c1-14-3-2-10-8(14)6-11-7-4-9(15)13-12-5-7/h2-5H,6H2,1H3,(H2,11,13,15)
InChIKeyLJZGCQXHKPNLFO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.12
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one

4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one (PubChem CID 114392212) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one
PubChem CID114392212
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one
SMILESCn1ccnc1CNc1cn[nH]c(=O)c1
InChIInChI=1S/C9H11N5O/c1-14-3-2-10-8(14)6-11-7-4-9(15)13-12-5-7/h2-5H,6H2,1H3,(H2,11,13,15)
InChIKeyLJZGCQXHKPNLFO-UHFFFAOYSA-N
XLogP0.12
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 62356069
5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate
CID 82535225
N-[(1-methylimidazol-2-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 62350133
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
CID 66350553
2-methyl-6-[(1-methylimidazol-2-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 60697346
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one (CID 114392212) is 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one is Cn1ccnc1CNc1cn[nH]c(=O)c1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one?
The InChIKey is LJZGCQXHKPNLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-14-3-2-10-8(14)6-11-7-4-9(15)13-12-5-7/h2-5H,6H2,1H3,(H2,11,13,15).
What are the key properties of 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one?
4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one has a molecular weight of 205.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 114392212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).