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

C12H21N5O2 — CID 103156811

IUPAC4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide
SMILESCCc1nnc(NC(=O)CC(CN)OC)nc1CC
InChIInChI=1S/C12H21N5O2/c1-4-9-10(5-2)16-17-12(14-9)15-11(18)6-8(7-13)19-3/h8H,4-7,13H2,1-3H3,(H,14,15,17,18)
InChIKeyYDSSMDKFCYRTRF-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.30
Rot. Bonds7

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

4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide (PubChem CID 103156811) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide
PubChem CID103156811
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide
SMILESCCc1nnc(NC(=O)CC(CN)OC)nc1CC
InChIInChI=1S/C12H21N5O2/c1-4-9-10(5-2)16-17-12(14-9)15-11(18)6-8(7-13)19-3/h8H,4-7,13H2,1-3H3,(H,14,15,17,18)
InChIKeyYDSSMDKFCYRTRF-UHFFFAOYSA-N
XLogP0.30
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.30
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-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide (CID 103156811) is 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide is CCc1nnc(NC(=O)CC(CN)OC)nc1CC.
What is the InChIKey of 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide?
The InChIKey is YDSSMDKFCYRTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-9-10(5-2)16-17-12(14-9)15-11(18)6-8(7-13)19-3/h8H,4-7,13H2,1-3H3,(H,14,15,17,18).
What are the key properties of 4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide?
4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide has a molecular weight of 267.33 g/mol, XLogP of 0.30, 7 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-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide is sourced from PubChem (CID 103156811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).