6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide

C10H16N4O2 — CID 106842680

IUPAC6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCCO)nn1
InChIInChI=1S/C10H16N4O2/c1-11-10(16)8-4-5-9(14-13-8)12-6-2-3-7-15/h4-5,15H,2-3,6-7H2,1H3,(H,11,16)(H,12,14)
InChIKeyFYGWDPMPUAPOTP-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.02
Rot. Bonds6

About 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide

6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 106842680) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
PubChem CID106842680
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCCO)nn1
InChIInChI=1S/C10H16N4O2/c1-11-10(16)8-4-5-9(14-13-8)12-6-2-3-7-15/h4-5,15H,2-3,6-7H2,1H3,(H,11,16)(H,12,14)
InChIKeyFYGWDPMPUAPOTP-UHFFFAOYSA-N
XLogP0.02
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.02
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-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
CID 103858516
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
CID 114248384
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
CID 62487995
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
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
6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 79207468
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide (CID 106842680) is 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCCCCO)nn1.
What is the InChIKey of 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide?
The InChIKey is FYGWDPMPUAPOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-11-10(16)8-4-5-9(14-13-8)12-6-2-3-7-15/h4-5,15H,2-3,6-7H2,1H3,(H,11,16)(H,12,14).
What are the key properties of 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide?
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 106842680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).