4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide

C10H17N5O2 — CID 103156809

IUPAC4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H17N5O2/c1-6-7(2)14-15-10(12-6)13-9(16)4-8(5-11)17-3/h8H,4-5,11H2,1-3H3,(H,12,13,15,16)
InChIKeyXSXSEASSIDONFX-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.21
Rot. Bonds5

About 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide

4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide (PubChem CID 103156809) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide
PubChem CID103156809
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H17N5O2/c1-6-7(2)14-15-10(12-6)13-9(16)4-8(5-11)17-3/h8H,4-5,11H2,1-3H3,(H,12,13,15,16)
InChIKeyXSXSEASSIDONFX-UHFFFAOYSA-N
XLogP-0.21
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide (CID 103156809) is 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide is COC(CN)CC(=O)Nc1nnc(C)c(C)n1.
What is the InChIKey of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide?
The InChIKey is XSXSEASSIDONFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6-7(2)14-15-10(12-6)13-9(16)4-8(5-11)17-3/h8H,4-5,11H2,1-3H3,(H,12,13,15,16).
What are the key properties of 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide?
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide has a molecular weight of 239.28 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide is sourced from PubChem (CID 103156809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).