6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide

C11H18N4OS — CID 114248384

IUPAC6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
SMILESCCSCCCNc1ccc(C(=O)NC)nn1
InChIInChI=1S/C11H18N4OS/c1-3-17-8-4-7-13-10-6-5-9(14-15-10)11(16)12-2/h5-6H,3-4,7-8H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyXMVLDYZLDVBREL-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.39
Rot. Bonds7

About 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide

6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 114248384) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
PubChem CID114248384
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
SMILESCCSCCCNc1ccc(C(=O)NC)nn1
InChIInChI=1S/C11H18N4OS/c1-3-17-8-4-7-13-10-6-5-9(14-15-10)11(16)12-2/h5-6H,3-4,7-8H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyXMVLDYZLDVBREL-UHFFFAOYSA-N
XLogP1.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
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
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
CID 103858516
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-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
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-(3-methylsulfanylpropylamino)pyridazine-3-carboxylic acid
CID 63959161
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide (CID 114248384) is 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide is CCSCCCNc1ccc(C(=O)NC)nn1.
What is the InChIKey of 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide?
The InChIKey is XMVLDYZLDVBREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-17-8-4-7-13-10-6-5-9(14-15-10)11(16)12-2/h5-6H,3-4,7-8H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide?
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 114248384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).