N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide

C12H19N3O3 — CID 65109487

IUPACN-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(C)(C)O)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-4-7-15-10(16)6-5-9(14-15)11(17)13-8-12(2,3)18/h5-6,18H,4,7-8H2,1-3H3,(H,13,17)
InChIKeyQIOJFDHFKHUTQC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.15
Rot. Bonds5

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

N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 65109487) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID65109487
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(C)(C)O)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-4-7-15-10(16)6-5-9(14-15)11(17)13-8-12(2,3)18/h5-6,18H,4,7-8H2,1-3H3,(H,13,17)
InChIKeyQIOJFDHFKHUTQC-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 65109487) is N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC(C)(C)O)ccc1=O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is QIOJFDHFKHUTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-7-15-10(16)6-5-9(14-15)11(17)13-8-12(2,3)18/h5-6,18H,4,7-8H2,1-3H3,(H,13,17).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 65109487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).