N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide

C11H17N3O3 — CID 43418474

IUPACN-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(C)O)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-3-6-14-10(16)5-4-9(13-14)11(17)12-7-8(2)15/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,17)
InChIKeyVRTPXHUANKEMGC-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.24
Rot. Bonds5

About N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 43418474) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID43418474
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC NameN-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(C)O)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-3-6-14-10(16)5-4-9(13-14)11(17)12-7-8(2)15/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,17)
InChIKeyVRTPXHUANKEMGC-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 43418474) is N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC(C)O)ccc1=O.
What is the InChIKey of N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is VRTPXHUANKEMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-6-14-10(16)5-4-9(13-14)11(17)12-7-8(2)15/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,17).
What are the key properties of N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 43418474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).