N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H17N5O2 — CID 56707272

IUPACN-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H17N5O2/c1-2-9(7-17-6-5-13-8-17)14-12(19)10-3-4-11(18)16-15-10/h5-6,8-9H,2-4,7H2,1H3,(H,14,19)(H,16,18)
InChIKeyIJGHALMAJUWBGG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.04
Rot. Bonds5

About N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 56707272) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID56707272
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H17N5O2/c1-2-9(7-17-6-5-13-8-17)14-12(19)10-3-4-11(18)16-15-10/h5-6,8-9H,2-4,7H2,1H3,(H,14,19)(H,16,18)
InChIKeyIJGHALMAJUWBGG-UHFFFAOYSA-N
XLogP0.04
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 56707272) is N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCC(Cn1ccnc1)NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is IJGHALMAJUWBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-9(7-17-6-5-13-8-17)14-12(19)10-3-4-11(18)16-15-10/h5-6,8-9H,2-4,7H2,1H3,(H,14,19)(H,16,18).
What are the key properties of N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 56707272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).