6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine

C20H18N6 — CID 133332696

IUPAC6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCc3ccc(-c4cccnc4)cc3)nn2)n1
InChIInChI=1S/C20H18N6/c1-15-10-12-26(25-15)20-9-8-19(23-24-20)22-13-16-4-6-17(7-5-16)18-3-2-11-21-14-18/h2-12,14H,13H2,1H3,(H,22,23)
InChIKeyCMXVVJSIWXFFFU-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.64
Rot. Bonds5

About 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine

6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine (PubChem CID 133332696) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine
PubChem CID133332696
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCc3ccc(-c4cccnc4)cc3)nn2)n1
InChIInChI=1S/C20H18N6/c1-15-10-12-26(25-15)20-9-8-19(23-24-20)22-13-16-4-6-17(7-5-16)18-3-2-11-21-14-18/h2-12,14H,13H2,1H3,(H,22,23)
InChIKeyCMXVVJSIWXFFFU-UHFFFAOYSA-N
XLogP3.64
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide
CID 133290911
6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine
CID 133379870
6-(3-methylpyrazol-1-yl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 167828754
3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133332673
6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
CID 133449534
N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133385992
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
CID 16654390
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
CID 122327152
N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 44820593
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine (CID 133332696) is 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine is Cc1ccn(-c2ccc(NCc3ccc(-c4cccnc4)cc3)nn2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine?
The InChIKey is CMXVVJSIWXFFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-15-10-12-26(25-15)20-9-8-19(23-24-20)22-13-16-4-6-17(7-5-16)18-3-2-11-21-14-18/h2-12,14H,13H2,1H3,(H,22,23).
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine?
6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine has a molecular weight of 342.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-N-[(4-pyridin-3-ylphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 133332696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).