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

C13H23N5O — CID 104919477

IUPAC(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
SMILESCCc1nnc(NC(=O)[C@H](N)C(C)(C)C)nc1CC
InChIInChI=1S/C13H23N5O/c1-6-8-9(7-2)17-18-12(15-8)16-11(19)10(14)13(3,4)5/h10H,6-7,14H2,1-5H3,(H,15,16,18,19)/t10-/m0/s1
InChIKeyKNOLWTXSARLSII-JTQLQIEISA-N
MW265.36 g/mol
LogP1.31
Rot. Bonds4

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

(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide (PubChem CID 104919477) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
PubChem CID104919477
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
SMILESCCc1nnc(NC(=O)[C@H](N)C(C)(C)C)nc1CC
InChIInChI=1S/C13H23N5O/c1-6-8-9(7-2)17-18-12(15-8)16-11(19)10(14)13(3,4)5/h10H,6-7,14H2,1-5H3,(H,15,16,18,19)/t10-/m0/s1
InChIKeyKNOLWTXSARLSII-JTQLQIEISA-N
XLogP1.31
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide (CID 104919477) is (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide is CCc1nnc(NC(=O)[C@H](N)C(C)(C)C)nc1CC.
What is the InChIKey of (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide?
The InChIKey is KNOLWTXSARLSII-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-8-9(7-2)17-18-12(15-8)16-11(19)10(14)13(3,4)5/h10H,6-7,14H2,1-5H3,(H,15,16,18,19)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 104919477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).