N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide

C16H26N4O — CID 165434484

IUPACN-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C16H26N4O/c1-15(2,3)12-7-8-13(19-18-12)20-9-11(10-20)14(21)17-16(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,17,21)
InChIKeyGGRZPDRKSIGCKO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.12
Rot. Bonds2

About N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide

N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide (PubChem CID 165434484) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide
PubChem CID165434484
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C16H26N4O/c1-15(2,3)12-7-8-13(19-18-12)20-9-11(10-20)14(21)17-16(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,17,21)
InChIKeyGGRZPDRKSIGCKO-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide (CID 165434484) is N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide is CC(C)(C)NC(=O)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide?
The InChIKey is GGRZPDRKSIGCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-15(2,3)12-7-8-13(19-18-12)20-9-11(10-20)14(21)17-16(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,17,21).
What are the key properties of N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide?
N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 165434484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).