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

C10H17N5O — CID 114387575

IUPAC2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H17N5O/c1-5-10(4,11)8(16)13-9-12-6(2)7(3)14-15-9/h5,11H2,1-4H3,(H,12,13,15,16)
InChIKeyNUGPLKJJLKLVRH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds3

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

2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide (PubChem CID 114387575) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide
PubChem CID114387575
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H17N5O/c1-5-10(4,11)8(16)13-9-12-6(2)7(3)14-15-9/h5,11H2,1-4H3,(H,12,13,15,16)
InChIKeyNUGPLKJJLKLVRH-UHFFFAOYSA-N
XLogP0.55
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide (CID 114387575) is 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1nnc(C)c(C)n1.
What is the InChIKey of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide?
The InChIKey is NUGPLKJJLKLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-5-10(4,11)8(16)13-9-12-6(2)7(3)14-15-9/h5,11H2,1-4H3,(H,12,13,15,16).
What are the key properties of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide?
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide has a molecular weight of 223.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide is sourced from PubChem (CID 114387575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).