2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide

C13H18N6O2 — CID 72851523

IUPAC2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide
SMILESCCn1nc(CC(N)=O)nc1Cn1nc(C)c(C)cc1=O
InChIInChI=1S/C13H18N6O2/c1-4-18-12(15-11(17-18)6-10(14)20)7-19-13(21)5-8(2)9(3)16-19/h5H,4,6-7H2,1-3H3,(H2,14,20)
InChIKeyJTLOLNZVQXQHOX-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.45
Rot. Bonds5

About 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide

2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 72851523) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide
PubChem CID72851523
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide
SMILESCCn1nc(CC(N)=O)nc1Cn1nc(C)c(C)cc1=O
InChIInChI=1S/C13H18N6O2/c1-4-18-12(15-11(17-18)6-10(14)20)7-19-13(21)5-8(2)9(3)16-19/h5H,4,6-7H2,1-3H3,(H2,14,20)
InChIKeyJTLOLNZVQXQHOX-UHFFFAOYSA-N
XLogP-0.45
TPSA108.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[1-ethyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide;formic acid
CID 154913117
2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 72896730
2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide
CID 131893595
2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide
CID 146044216
2-chloro-5,6-dimethylpyridazin-3-one
CID 88774796
6-chloro-2-ethyl-5-methylpyridazin-3-one
CID 165172488
2-[1-(3,5-dimethylphenyl)-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 72850415
2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 72925150
2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 157013188
2-[2-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one
CID 86283692
2-[1-butyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 72873850
1-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 58497357

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide (CID 72851523) is 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide is CCn1nc(CC(N)=O)nc1Cn1nc(C)c(C)cc1=O.
What is the InChIKey of 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is JTLOLNZVQXQHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-4-18-12(15-11(17-18)6-10(14)20)7-19-13(21)5-8(2)9(3)16-19/h5H,4,6-7H2,1-3H3,(H2,14,20).
What are the key properties of 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide?
2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 290.33 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72851523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).