2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide

C13H19N5O — CID 114387944

IUPAC2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
SMILESCCc1nnc(NC(=O)C(C#N)C(C)C)nc1CC
InChIInChI=1S/C13H19N5O/c1-5-10-11(6-2)17-18-13(15-10)16-12(19)9(7-14)8(3)4/h8-9H,5-6H2,1-4H3,(H,15,16,18,19)
InChIKeyXEPVTDKCOCWVAC-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.73
Rot. Bonds5

About 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide

2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide (PubChem CID 114387944) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
PubChem CID114387944
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
SMILESCCc1nnc(NC(=O)C(C#N)C(C)C)nc1CC
InChIInChI=1S/C13H19N5O/c1-5-10-11(6-2)17-18-13(15-10)16-12(19)9(7-14)8(3)4/h8-9H,5-6H2,1-4H3,(H,15,16,18,19)
InChIKeyXEPVTDKCOCWVAC-UHFFFAOYSA-N
XLogP1.73
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 114387585
2-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
4-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499325
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
CID 104919477
(2S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
CID 104919479
2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)hexanamide
CID 104919483
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
CID 104919484
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
CID 104919485
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentanamide
CID 104919486
(2S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentanamide
CID 104919487
(2S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
CID 104919489
(2S,3S)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpentanamide
CID 104919490

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
The IUPAC name of 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide (CID 114387944) is 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
The canonical SMILES for 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide is CCc1nnc(NC(=O)C(C#N)C(C)C)nc1CC.
What is the InChIKey of 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
The InChIKey is XEPVTDKCOCWVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-5-10-11(6-2)17-18-13(15-10)16-12(19)9(7-14)8(3)4/h8-9H,5-6H2,1-4H3,(H,15,16,18,19).
What are the key properties of 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide has a molecular weight of 261.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 114387944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).