N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide

C14H16N4O — CID 28432

IUPACN-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide
SMILESCc1cc(C)c(NN(C=O)Cc2ccccc2)nn1
InChIInChI=1S/C14H16N4O/c1-11-8-12(2)15-16-14(11)17-18(10-19)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyQRFGIUQJSOSUJN-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.08
Rot. Bonds5

About N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide

N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide (PubChem CID 28432) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide.

Molecular Properties

Compound NameN-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide
PubChem CID28432
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide
SMILESCc1cc(C)c(NN(C=O)Cc2ccccc2)nn1
InChIInChI=1S/C14H16N4O/c1-11-8-12(2)15-16-14(11)17-18(10-19)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyQRFGIUQJSOSUJN-UHFFFAOYSA-N
XLogP2.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide?
The IUPAC name of N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide (CID 28432) is N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide.
What is the SMILES notation for N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide?
The canonical SMILES for N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide is Cc1cc(C)c(NN(C=O)Cc2ccccc2)nn1.
What is the InChIKey of N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide?
The InChIKey is QRFGIUQJSOSUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11-8-12(2)15-16-14(11)17-18(10-19)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide?
N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide has a molecular weight of 256.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide is sourced from PubChem (CID 28432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).