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

C10H14N6O2 — CID 103616637

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCn1cnnc1CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H14N6O2/c1-2-16-6-12-14-8(16)5-11-10(18)7-3-4-9(17)15-13-7/h6H,2-5H2,1H3,(H,11,18)(H,15,17)
InChIKeyKCGCSSSZPHSGSF-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.82
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 103616637) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID103616637
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCn1cnnc1CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H14N6O2/c1-2-16-6-12-14-8(16)5-11-10(18)7-3-4-9(17)15-13-7/h6H,2-5H2,1H3,(H,11,18)(H,15,17)
InChIKeyKCGCSSSZPHSGSF-UHFFFAOYSA-N
XLogP-0.82
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114170961
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113223204
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717599
3-amino-5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301578
1-[[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 114170931
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60979295
5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106304004
3-amino-5-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301599
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 103813840

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 103616637) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCn1cnnc1CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is KCGCSSSZPHSGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-2-16-6-12-14-8(16)5-11-10(18)7-3-4-9(17)15-13-7/h6H,2-5H2,1H3,(H,11,18)(H,15,17).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103616637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).