4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol

C15H19N3O — CID 6410639

IUPAC4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol
SMILESCc1cc(-c2ccccc2)nnc1NCCCCO
InChIInChI=1S/C15H19N3O/c1-12-11-14(13-7-3-2-4-8-13)17-18-15(12)16-9-5-6-10-19/h2-4,7-8,11,19H,5-6,9-10H2,1H3,(H,16,18)
InChIKeyCQQMVUGBOXBGLR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.64
Rot. Bonds6

About 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol

4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol (PubChem CID 6410639) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol
PubChem CID6410639
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol
SMILESCc1cc(-c2ccccc2)nnc1NCCCCO
InChIInChI=1S/C15H19N3O/c1-12-11-14(13-7-3-2-4-8-13)17-18-15(12)16-9-5-6-10-19/h2-4,7-8,11,19H,5-6,9-10H2,1H3,(H,16,18)
InChIKeyCQQMVUGBOXBGLR-UHFFFAOYSA-N
XLogP2.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol?
The IUPAC name of 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol (CID 6410639) is 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol is Cc1cc(-c2ccccc2)nnc1NCCCCO.
What is the InChIKey of 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol?
The InChIKey is CQQMVUGBOXBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-11-14(13-7-3-2-4-8-13)17-18-15(12)16-9-5-6-10-19/h2-4,7-8,11,19H,5-6,9-10H2,1H3,(H,16,18).
What are the key properties of 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol?
4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol is sourced from PubChem (CID 6410639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).