6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide

C12H20N4O2 — CID 103858516

IUPAC6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCC(C)CO)nn1
InChIInChI=1S/C12H20N4O2/c1-9(8-17)4-3-7-14-11-6-5-10(15-16-11)12(18)13-2/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,13,18)(H,14,16)
InChIKeyJWLPFAXTFMETFV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.66
Rot. Bonds7

About 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide

6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 103858516) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID103858516
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCC(C)CO)nn1
InChIInChI=1S/C12H20N4O2/c1-9(8-17)4-3-7-14-11-6-5-10(15-16-11)12(18)13-2/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,13,18)(H,14,16)
InChIKeyJWLPFAXTFMETFV-UHFFFAOYSA-N
XLogP0.66
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
CID 114248384
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide
CID 133329134
6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290

Frequently Asked Questions

What is the IUPAC name of 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide (CID 103858516) is 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCCCC(C)CO)nn1.
What is the InChIKey of 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is JWLPFAXTFMETFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(8-17)4-3-7-14-11-6-5-10(15-16-11)12(18)13-2/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,13,18)(H,14,16).
What are the key properties of 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide?
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 103858516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).