N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide

C14H21N3O2 — CID 102866154

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCO)C2CCC2)c(C)nn1
InChIInChI=1S/C14H21N3O2/c1-10-9-13(11(2)16-15-10)14(19)17(7-4-8-18)12-5-3-6-12/h9,12,18H,3-8H2,1-2H3
InChIKeyMUBXKRWGSWLOQE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 102866154) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID102866154
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCO)C2CCC2)c(C)nn1
InChIInChI=1S/C14H21N3O2/c1-10-9-13(11(2)16-15-10)14(19)17(7-4-8-18)12-5-3-6-12/h9,12,18H,3-8H2,1-2H3
InChIKeyMUBXKRWGSWLOQE-UHFFFAOYSA-N
XLogP1.47
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide (CID 102866154) is N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)N(CCCO)C2CCC2)c(C)nn1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is MUBXKRWGSWLOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-13(11(2)16-15-10)14(19)17(7-4-8-18)12-5-3-6-12/h9,12,18H,3-8H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 102866154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).