6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide

C11H19N5O — CID 114387822

IUPAC6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide
SMILESCCC(CCN)CCC(=O)Nc1nccnn1
InChIInChI=1S/C11H19N5O/c1-2-9(5-6-12)3-4-10(17)15-11-13-7-8-14-16-11/h7-9H,2-6,12H2,1H3,(H,13,15,16,17)
InChIKeyMZSFHCHNUDVNPR-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.97
Rot. Bonds7

About 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide

6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide (PubChem CID 114387822) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide.

Molecular Properties

Compound Name6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide
PubChem CID114387822
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide
SMILESCCC(CCN)CCC(=O)Nc1nccnn1
InChIInChI=1S/C11H19N5O/c1-2-9(5-6-12)3-4-10(17)15-11-13-7-8-14-16-11/h7-9H,2-6,12H2,1H3,(H,13,15,16,17)
InChIKeyMZSFHCHNUDVNPR-UHFFFAOYSA-N
XLogP0.97
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide?
The IUPAC name of 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide (CID 114387822) is 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide.
What is the SMILES notation for 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide?
The canonical SMILES for 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide is CCC(CCN)CCC(=O)Nc1nccnn1.
What is the InChIKey of 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide?
The InChIKey is MZSFHCHNUDVNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-9(5-6-12)3-4-10(17)15-11-13-7-8-14-16-11/h7-9H,2-6,12H2,1H3,(H,13,15,16,17).
What are the key properties of 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide?
6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide has a molecular weight of 237.31 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-N-(1,2,4-triazin-3-yl)hexanamide is sourced from PubChem (CID 114387822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).