(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide

C9H15N5O — CID 104919463

IUPAC(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C9H15N5O/c1-4-7(10)8(15)12-9-11-5(2)6(3)13-14-9/h7H,4,10H2,1-3H3,(H,11,12,14,15)/t7-/m1/s1
InChIKeyCPBOYMCUBYYLBH-SSDOTTSWSA-N
MW209.25 g/mol
LogP0.16
Rot. Bonds3

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

(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide (PubChem CID 104919463) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide
PubChem CID104919463
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C9H15N5O/c1-4-7(10)8(15)12-9-11-5(2)6(3)13-14-9/h7H,4,10H2,1-3H3,(H,11,12,14,15)/t7-/m1/s1
InChIKeyCPBOYMCUBYYLBH-SSDOTTSWSA-N
XLogP0.16
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.16
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-dimethyl-1,2,4-triazin-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide (CID 104919463) is (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide is CC[C@@H](N)C(=O)Nc1nnc(C)c(C)n1.
What is the InChIKey of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide?
The InChIKey is CPBOYMCUBYYLBH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N5O/c1-4-7(10)8(15)12-9-11-5(2)6(3)13-14-9/h7H,4,10H2,1-3H3,(H,11,12,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide?
(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butanamide has a molecular weight of 209.25 g/mol, XLogP of 0.16, 3 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-dimethyl-1,2,4-triazin-3-yl)butanamide is sourced from PubChem (CID 104919463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).