methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate

C14H16N4O2 — CID 113041019

IUPACmethyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C14H16N4O2/c1-10-4-3-5-11(8-10)9-15-12-6-7-13(18-17-12)16-14(19)20-2/h3-8H,9H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyYVKMRGTUZVHEDW-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.58
Rot. Bonds4

About methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate

methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate (PubChem CID 113041019) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
PubChem CID113041019
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namemethyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C14H16N4O2/c1-10-4-3-5-11(8-10)9-15-12-6-7-13(18-17-12)16-14(19)20-2/h3-8H,9H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyYVKMRGTUZVHEDW-UHFFFAOYSA-N
XLogP2.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016
N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118261
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075
N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118337
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113040689
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide
CID 109118268
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate (CID 113041019) is methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate is COC(=O)Nc1ccc(NCc2cccc(C)c2)nn1.
What is the InChIKey of methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate?
The InChIKey is YVKMRGTUZVHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-4-3-5-11(8-10)9-15-12-6-7-13(18-17-12)16-14(19)20-2/h3-8H,9H2,1-2H3,(H,15,17)(H,16,18,19).
What are the key properties of methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate?
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate has a molecular weight of 272.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate is sourced from PubChem (CID 113041019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).