N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C9H15N3O3 — CID 65034580

IUPACN-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(CO)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H15N3O3/c1-6(5-13)4-10-9(15)7-2-3-8(14)12-11-7/h6,13H,2-5H2,1H3,(H,10,15)(H,12,14)
InChIKeyYHPZNWBVIGKYRL-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.00
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 65034580) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID65034580
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(CO)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H15N3O3/c1-6(5-13)4-10-9(15)7-2-3-8(14)12-11-7/h6,13H,2-5H2,1H3,(H,10,15)(H,12,14)
InChIKeyYHPZNWBVIGKYRL-UHFFFAOYSA-N
XLogP-1.00
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 65034580) is N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(CO)CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is YHPZNWBVIGKYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(5-13)4-10-9(15)7-2-3-8(14)12-11-7/h6,13H,2-5H2,1H3,(H,10,15)(H,12,14).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 65034580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).