2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide

C13H24N6O — CID 91766989

IUPAC2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide
SMILESCCn1c(CN(C)CC(=O)NC)nnc1C1CC(N)C1
InChIInChI=1S/C13H24N6O/c1-4-19-11(7-18(3)8-12(20)15-2)16-17-13(19)9-5-10(14)6-9/h9-10H,4-8,14H2,1-3H3,(H,15,20)
InChIKeyJEAOMYYBGGJAKF-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.32
Rot. Bonds6

About 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide

2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide (PubChem CID 91766989) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide
PubChem CID91766989
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide
SMILESCCn1c(CN(C)CC(=O)NC)nnc1C1CC(N)C1
InChIInChI=1S/C13H24N6O/c1-4-19-11(7-18(3)8-12(20)15-2)16-17-13(19)9-5-10(14)6-9/h9-10H,4-8,14H2,1-3H3,(H,15,20)
InChIKeyJEAOMYYBGGJAKF-UHFFFAOYSA-N
XLogP-0.32
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide (CID 91766989) is 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide is CCn1c(CN(C)CC(=O)NC)nnc1C1CC(N)C1.
What is the InChIKey of 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide?
The InChIKey is JEAOMYYBGGJAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-19-11(7-18(3)8-12(20)15-2)16-17-13(19)9-5-10(14)6-9/h9-10H,4-8,14H2,1-3H3,(H,15,20).
What are the key properties of 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide?
2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide has a molecular weight of 280.38 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 91766989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).