N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide

C13H15N5O — CID 106896370

IUPACN'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1CNCc1cccnn1
InChIInChI=1S/C13H15N5O/c14-13(18-19)12-6-2-1-4-10(12)8-15-9-11-5-3-7-16-17-11/h1-7,15,19H,8-9H2,(H2,14,18)
InChIKeyIKDGBFCBFKFHEA-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.86
Rot. Bonds5

About N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide

N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide (PubChem CID 106896370) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide
PubChem CID106896370
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1CNCc1cccnn1
InChIInChI=1S/C13H15N5O/c14-13(18-19)12-6-2-1-4-10(12)8-15-9-11-5-3-7-16-17-11/h1-7,15,19H,8-9H2,(H2,14,18)
InChIKeyIKDGBFCBFKFHEA-UHFFFAOYSA-N
XLogP0.86
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77026755
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
N'-hydroxy-2-[(thiophen-2-ylmethylamino)methyl]benzenecarboximidamide
CID 77029595
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77030304
2-[[(2,4-difluorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027172
N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]benzenecarboximidamide
CID 77030623
2-[(2,3-dihydroxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77113883
N'-hydroxy-2-[(3-methylbut-2-enylamino)methyl]benzenecarboximidamide
CID 114155961
N'-hydroxy-2-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenecarboximidamide
CID 77028431
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 106372819
N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide
CID 106400077

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide (CID 106896370) is N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide is N/C(=N/O)c1ccccc1CNCc1cccnn1.
What is the InChIKey of N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide?
The InChIKey is IKDGBFCBFKFHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-13(18-19)12-6-2-1-4-10(12)8-15-9-11-5-3-7-16-17-11/h1-7,15,19H,8-9H2,(H2,14,18).
What are the key properties of N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide?
N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide has a molecular weight of 257.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 106896370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).