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

C11H19N5O — CID 114786853

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide
SMILESCc1nnc(NC(C)C(=O)NC(C)C)nc1C
InChIInChI=1S/C11H19N5O/c1-6(2)12-10(17)9(5)14-11-13-7(3)8(4)15-16-11/h6,9H,1-5H3,(H,12,17)(H,13,14,16)
InChIKeyHHMBJJIYNKYQQE-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.81
Rot. Bonds4

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

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 114786853) 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-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide
PubChem CID114786853
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide
SMILESCc1nnc(NC(C)C(=O)NC(C)C)nc1C
InChIInChI=1S/C11H19N5O/c1-6(2)12-10(17)9(5)14-11-13-7(3)8(4)15-16-11/h6,9H,1-5H3,(H,12,17)(H,13,14,16)
InChIKeyHHMBJJIYNKYQQE-UHFFFAOYSA-N
XLogP0.81
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
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-propan-2-ylpropanamide?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide (CID 114786853) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide is Cc1nnc(NC(C)C(=O)NC(C)C)nc1C.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is HHMBJJIYNKYQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6(2)12-10(17)9(5)14-11-13-7(3)8(4)15-16-11/h6,9H,1-5H3,(H,12,17)(H,13,14,16).
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 237.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 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-propan-2-ylpropanamide is sourced from PubChem (CID 114786853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).