2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide

C12H16N4O2 — CID 6625700

IUPAC2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1ncn2cccc2c1=O
InChIInChI=1S/C12H16N4O2/c1-8(2)14-11(17)9(3)16-12(18)10-5-4-6-15(10)7-13-16/h4-9H,1-3H3,(H,14,17)
InChIKeyNMZCPGOZSOYWKH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.58
Rot. Bonds3

About 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide

2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide (PubChem CID 6625700) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide
PubChem CID6625700
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1ncn2cccc2c1=O
InChIInChI=1S/C12H16N4O2/c1-8(2)14-11(17)9(3)16-12(18)10-5-4-6-15(10)7-13-16/h4-9H,1-3H3,(H,14,17)
InChIKeyNMZCPGOZSOYWKH-UHFFFAOYSA-N
XLogP0.58
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide (CID 6625700) is 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)n1ncn2cccc2c1=O.
What is the InChIKey of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide?
The InChIKey is NMZCPGOZSOYWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(2)14-11(17)9(3)16-12(18)10-5-4-6-15(10)7-13-16/h4-9H,1-3H3,(H,14,17).
What are the key properties of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide?
2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide has a molecular weight of 248.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 6625700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).