2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide

C17H25N5O3 — CID 131893595

IUPAC2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide
SMILESCCn1c(C)cc(C)c(-c2nc(CC(N)=O)nn2CC(C)(C)O)c1=O
InChIInChI=1S/C17H25N5O3/c1-6-21-11(3)7-10(2)14(16(21)24)15-19-13(8-12(18)23)20-22(15)9-17(4,5)25/h7,25H,6,8-9H2,1-5H3,(H2,18,23)
InChIKeyURHOHUAAXMBWNB-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.54
Rot. Bonds6

About 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide

2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 131893595) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID131893595
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide
SMILESCCn1c(C)cc(C)c(-c2nc(CC(N)=O)nn2CC(C)(C)O)c1=O
InChIInChI=1S/C17H25N5O3/c1-6-21-11(3)7-10(2)14(16(21)24)15-19-13(8-12(18)23)20-22(15)9-17(4,5)25/h7,25H,6,8-9H2,1-5H3,(H2,18,23)
InChIKeyURHOHUAAXMBWNB-UHFFFAOYSA-N
XLogP0.54
TPSA116.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[5-[(3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]acetamide
CID 72851523
2-[1-(2-hydroxy-2-methylpropyl)-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]acetamide
CID 131921168
2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 72925150
2-[5-[1-(3,4-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 131924016
2-[1-ethyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide
CID 146044216
2-[1-butyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 72873850
2-(1-tert-butyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)acetamide
CID 131951982
2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide
CID 146038853
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 77091531
2-[1-butyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038431
3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one
CID 82526155
2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 137214520

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 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) is 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide is CCn1c(C)cc(C)c(-c2nc(CC(N)=O)nn2CC(C)(C)O)c1=O.
What is the InChIKey of 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is URHOHUAAXMBWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-6-21-11(3)7-10(2)14(16(21)24)15-19-13(8-12(18)23)20-22(15)9-17(4,5)25/h7,25H,6,8-9H2,1-5H3,(H2,18,23).
What are the key properties of 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-ethyl-4,6-dimethyl-2-oxo-3-pyridinyl)-1-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131893595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).