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

C12H21N5O — CID 104919485

IUPAC(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
SMILESCCc1nnc(NC(=O)[C@H](N)C(C)C)nc1CC
InChIInChI=1S/C12H21N5O/c1-5-8-9(6-2)16-17-12(14-8)15-11(18)10(13)7(3)4/h7,10H,5-6,13H2,1-4H3,(H,14,15,17,18)/t10-/m1/s1
InChIKeyGABFCZDZFGFUBD-SNVBAGLBSA-N
MW251.33 g/mol
LogP0.92
Rot. Bonds5

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

(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide (PubChem CID 104919485) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
PubChem CID104919485
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
SMILESCCc1nnc(NC(=O)[C@H](N)C(C)C)nc1CC
InChIInChI=1S/C12H21N5O/c1-5-8-9(6-2)16-17-12(14-8)15-11(18)10(13)7(3)4/h7,10H,5-6,13H2,1-4H3,(H,14,15,17,18)/t10-/m1/s1
InChIKeyGABFCZDZFGFUBD-SNVBAGLBSA-N
XLogP0.92
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.92
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-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide (CID 104919485) is (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide is CCc1nnc(NC(=O)[C@H](N)C(C)C)nc1CC.
What is the InChIKey of (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
The InChIKey is GABFCZDZFGFUBD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-8-9(6-2)16-17-12(14-8)15-11(18)10(13)7(3)4/h7,10H,5-6,13H2,1-4H3,(H,14,15,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 0.92, 5 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-methylbutanamide is sourced from PubChem (CID 104919485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).