N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C11H14N6O2 — CID 78927502

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2n[nH]c(C)n2)ccc1=O
InChIInChI=1S/C11H14N6O2/c1-3-6-17-9(18)5-4-8(16-17)10(19)13-11-12-7(2)14-15-11/h4-5H,3,6H2,1-2H3,(H2,12,13,14,15,19)
InChIKeyDPUKTBXHVFADAJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.33
Rot. Bonds4

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 78927502) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID78927502
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2n[nH]c(C)n2)ccc1=O
InChIInChI=1S/C11H14N6O2/c1-3-6-17-9(18)5-4-8(16-17)10(19)13-11-12-7(2)14-15-11/h4-5H,3,6H2,1-2H3,(H2,12,13,14,15,19)
InChIKeyDPUKTBXHVFADAJ-UHFFFAOYSA-N
XLogP0.33
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 78927868
6-oxo-1-propyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide
CID 87018833
N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 86812037
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide
CID 103859707
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
CID 63913396
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide
CID 34933662
6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30729881

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 78927502) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2n[nH]c(C)n2)ccc1=O.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is DPUKTBXHVFADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-3-6-17-9(18)5-4-8(16-17)10(19)13-11-12-7(2)14-15-11/h4-5H,3,6H2,1-2H3,(H2,12,13,14,15,19).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 78927502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).