N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide

C17H25N5O2 — CID 110220544

IUPACN-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
SMILESCc1nn(C)c(C)c1-c1ccc(=O)n(C(C)C(=O)NC(C)(C)C)n1
InChIInChI=1S/C17H25N5O2/c1-10-15(11(2)21(7)19-10)13-8-9-14(23)22(20-13)12(3)16(24)18-17(4,5)6/h8-9,12H,1-7H3,(H,18,24)
InChIKeyINTCTVFVHHIEPP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.74
Rot. Bonds3

About N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide

N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (PubChem CID 110220544) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
PubChem CID110220544
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
SMILESCc1nn(C)c(C)c1-c1ccc(=O)n(C(C)C(=O)NC(C)(C)C)n1
InChIInChI=1S/C17H25N5O2/c1-10-15(11(2)21(7)19-10)13-8-9-14(23)22(20-13)12(3)16(24)18-17(4,5)6/h8-9,12H,1-7H3,(H,18,24)
InChIKeyINTCTVFVHHIEPP-UHFFFAOYSA-N
XLogP1.74
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (CID 110220544) is N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide is Cc1nn(C)c(C)c1-c1ccc(=O)n(C(C)C(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The InChIKey is INTCTVFVHHIEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-15(11(2)21(7)19-10)13-8-9-14(23)22(20-13)12(3)16(24)18-17(4,5)6/h8-9,12H,1-7H3,(H,18,24).
What are the key properties of N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide is sourced from PubChem (CID 110220544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).