N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C10H13N5O2 — CID 63236221

IUPACN-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCn1ccnc1CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H13N5O2/c1-15-5-4-11-8(15)6-12-10(17)7-2-3-9(16)14-13-7/h4-5H,2-3,6H2,1H3,(H,12,17)(H,14,16)
InChIKeyDJPNNXDEBPPMNG-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.70
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 63236221) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID63236221
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCn1ccnc1CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H13N5O2/c1-15-5-4-11-8(15)6-12-10(17)7-2-3-9(16)14-13-7/h4-5H,2-3,6H2,1H3,(H,12,17)(H,14,16)
InChIKeyDJPNNXDEBPPMNG-UHFFFAOYSA-N
XLogP-0.70
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103616637
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668
N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
CID 110467928
3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63236046
N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756
5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 63236222
3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113329947
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 63236221) is N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cn1ccnc1CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is DJPNNXDEBPPMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-15-5-4-11-8(15)6-12-10(17)7-2-3-9(16)14-13-7/h4-5H,2-3,6H2,1H3,(H,12,17)(H,14,16).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 63236221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).