6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide

C14H20N6O — CID 62173719

IUPAC6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCCCn2ccnc2)nn1
InChIInChI=1S/C14H20N6O/c1-2-16-13-6-5-12(18-19-13)14(21)17-7-3-4-9-20-10-8-15-11-20/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,16,19)(H,17,21)
InChIKeyWRHUPIAMKVOMAN-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.32
Rot. Bonds8

About 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide

6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide (PubChem CID 62173719) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
PubChem CID62173719
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCCCn2ccnc2)nn1
InChIInChI=1S/C14H20N6O/c1-2-16-13-6-5-12(18-19-13)14(21)17-7-3-4-9-20-10-8-15-11-20/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,16,19)(H,17,21)
InChIKeyWRHUPIAMKVOMAN-UHFFFAOYSA-N
XLogP1.32
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 104640721
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide
CID 107375001
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
CID 107374403
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62166382
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
CID 106342396
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
6-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridazine-3-carboxamide
CID 82875427
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide (CID 62173719) is 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide is CCNc1ccc(C(=O)NCCCCn2ccnc2)nn1.
What is the InChIKey of 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide?
The InChIKey is WRHUPIAMKVOMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-16-13-6-5-12(18-19-13)14(21)17-7-3-4-9-20-10-8-15-11-20/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,16,19)(H,17,21).
What are the key properties of 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide?
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 62173719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).