1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one

C17H25N5O2 — CID 91761993

IUPAC1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one
SMILESCOCCn1c(Cn2c(C)c(C)ccc2=O)nnc1C1CC(N)C1
InChIInChI=1S/C17H25N5O2/c1-11-4-5-16(23)22(12(11)2)10-15-19-20-17(13-8-14(18)9-13)21(15)6-7-24-3/h4-5,13-14H,6-10,18H2,1-3H3
InChIKeyOWCWVLVTGHOEDX-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.96
Rot. Bonds6

About 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one

1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one (PubChem CID 91761993) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one
PubChem CID91761993
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one
SMILESCOCCn1c(Cn2c(C)c(C)ccc2=O)nnc1C1CC(N)C1
InChIInChI=1S/C17H25N5O2/c1-11-4-5-16(23)22(12(11)2)10-15-19-20-17(13-8-14(18)9-13)21(15)6-7-24-3/h4-5,13-14H,6-10,18H2,1-3H3
InChIKeyOWCWVLVTGHOEDX-UHFFFAOYSA-N
XLogP0.96
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one with MolForge

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Related Compounds

3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91790687
2-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 91760991
3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91792134
2-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methylamino]pyridin-3-ol
CID 91797377
3-[4-(2-methoxyethyl)-5-[(2-methyl-1,3-benzoxazol-6-yl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91767780
4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91774265
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 91786905
4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide
CID 91760457
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,6-dimethylpyridine-3-carboxamide
CID 91790714
5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 91785731
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
CID 91780129
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-methoxy-4-methylbenzamide
CID 91794193

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one?
The IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one (CID 91761993) is 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one?
The canonical SMILES for 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one is COCCn1c(Cn2c(C)c(C)ccc2=O)nnc1C1CC(N)C1.
What is the InChIKey of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one?
The InChIKey is OWCWVLVTGHOEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-4-5-16(23)22(12(11)2)10-15-19-20-17(13-8-14(18)9-13)21(15)6-7-24-3/h4-5,13-14H,6-10,18H2,1-3H3.
What are the key properties of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one?
1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one has a molecular weight of 331.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one is sourced from PubChem (CID 91761993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).