N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

C10H12N6O2 — CID 116787480

IUPACN-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)Nc2ccc(=O)[nH]n2)n[nH]1
InChIInChI=1S/C10H12N6O2/c1-5(2)8-12-9(16-15-8)10(18)11-6-3-4-7(17)14-13-6/h3-5H,1-2H3,(H,14,17)(H,11,13,18)(H,12,15,16)
InChIKeyONMCKOXTTGLTOK-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.26
Rot. Bonds3

About N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 116787480) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
PubChem CID116787480
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)Nc2ccc(=O)[nH]n2)n[nH]1
InChIInChI=1S/C10H12N6O2/c1-5(2)8-12-9(16-15-8)10(18)11-6-3-4-7(17)14-13-6/h3-5H,1-2H3,(H,14,17)(H,11,13,18)(H,12,15,16)
InChIKeyONMCKOXTTGLTOK-UHFFFAOYSA-N
XLogP0.26
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740309
2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338905
N-[(2S)-2-hydroxypropyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 107858442
2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 116786621
5-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyrazine-2-carboxamide
CID 107377055
N-(4-hydroxy-2,5-dimethylphenyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 106954626
4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786641
N-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 114701643
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 102907598
2-methyl-4-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82881314
2-hydrazinyl-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788149

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (CID 116787480) is N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is CC(C)c1nc(C(=O)Nc2ccc(=O)[nH]n2)n[nH]1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is ONMCKOXTTGLTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-5(2)8-12-9(16-15-8)10(18)11-6-3-4-7(17)14-13-6/h3-5H,1-2H3,(H,14,17)(H,11,13,18)(H,12,15,16).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 248.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 116787480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).