N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C10H15N3O3 — CID 43428095

IUPACN-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCCCO)c1C
InChIInChI=1S/C10H15N3O3/c1-6-7(2)12-13-10(16)8(6)9(15)11-4-3-5-14/h14H,3-5H2,1-2H3,(H,11,15)(H,13,16)
InChIKeyOHUJLSRQDBOWSD-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.50
Rot. Bonds4

About N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 43428095) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID43428095
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCCCO)c1C
InChIInChI=1S/C10H15N3O3/c1-6-7(2)12-13-10(16)8(6)9(15)11-4-3-5-14/h14H,3-5H2,1-2H3,(H,11,15)(H,13,16)
InChIKeyOHUJLSRQDBOWSD-UHFFFAOYSA-N
XLogP-0.50
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 115771592
N-(2-hydroxy-3-methylbutyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 113258899
3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
CID 60975575
3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide
CID 56812407
N-(1-hydroxy-4-methylpentan-3-yl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103782323
N-(2-hydroxypentyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 115700686
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357881
3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid
CID 106107384
3,4-dimethyl-6-oxo-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazine-5-carboxamide
CID 112841508
3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide
CID 136576756
N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103944574
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]pentanoic acid
CID 43630854

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 43428095) is N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NCCCO)c1C.
What is the InChIKey of N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is OHUJLSRQDBOWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-7(2)12-13-10(16)8(6)9(15)11-4-3-5-14/h14H,3-5H2,1-2H3,(H,11,15)(H,13,16).
What are the key properties of N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 43428095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).