N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

C18H21N5 — CID 133345372

IUPACN-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NC(c3ccccc3)C(C)C)nn2)n1
InChIInChI=1S/C18H21N5/c1-13(2)18(15-7-5-4-6-8-15)19-16-9-10-17(21-20-16)23-12-11-14(3)22-23/h4-13,18H,1-3H3,(H,19,20)
InChIKeyUOJRJHYNGVHZOD-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.78
Rot. Bonds5

About N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 133345372) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
PubChem CID133345372
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NC(c3ccccc3)C(C)C)nn2)n1
InChIInChI=1S/C18H21N5/c1-13(2)18(15-7-5-4-6-8-15)19-16-9-10-17(21-20-16)23-12-11-14(3)22-23/h4-13,18H,1-3H3,(H,19,20)
InChIKeyUOJRJHYNGVHZOD-UHFFFAOYSA-N
XLogP3.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (CID 133345372) is N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is Cc1ccn(-c2ccc(NC(c3ccccc3)C(C)C)nn2)n1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is UOJRJHYNGVHZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13(2)18(15-7-5-4-6-8-15)19-16-9-10-17(21-20-16)23-12-11-14(3)22-23/h4-13,18H,1-3H3,(H,19,20).
What are the key properties of N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 307.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 133345372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).