2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide

C11H19N5O — CID 103111347

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nnc(C)c(C)n1
InChIInChI=1S/C11H19N5O/c1-6-16(5)10(17)9(4)13-11-12-7(2)8(3)14-15-11/h9H,6H2,1-5H3,(H,12,13,15)
InChIKeyTVSHLHNBSXNIIN-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.77
Rot. Bonds4

About 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103111347) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103111347
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nnc(C)c(C)n1
InChIInChI=1S/C11H19N5O/c1-6-16(5)10(17)9(4)13-11-12-7(2)8(3)14-15-11/h9H,6H2,1-5H3,(H,12,13,15)
InChIKeyTVSHLHNBSXNIIN-UHFFFAOYSA-N
XLogP0.77
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide (CID 103111347) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1nnc(C)c(C)n1.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is TVSHLHNBSXNIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6-16(5)10(17)9(4)13-11-12-7(2)8(3)14-15-11/h9H,6H2,1-5H3,(H,12,13,15).
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 237.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103111347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).