2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide

C12H17N5O2 — CID 135519753

IUPAC2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCCc1nc2[nH]c(=O)cc(NC(=O)C(C)C)n2n1
InChIInChI=1S/C12H17N5O2/c1-4-5-8-13-12-15-10(18)6-9(17(12)16-8)14-11(19)7(2)3/h6-7H,4-5H2,1-3H3,(H,14,19)(H,13,15,16,18)
InChIKeySHHFMQNNOLONQE-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.96
Rot. Bonds4

About 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide

2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (PubChem CID 135519753) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
PubChem CID135519753
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCCc1nc2[nH]c(=O)cc(NC(=O)C(C)C)n2n1
InChIInChI=1S/C12H17N5O2/c1-4-5-8-13-12-15-10(18)6-9(17(12)16-8)14-11(19)7(2)3/h6-7H,4-5H2,1-3H3,(H,14,19)(H,13,15,16,18)
InChIKeySHHFMQNNOLONQE-UHFFFAOYSA-N
XLogP0.96
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide 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-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The IUPAC name of 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (CID 135519753) is 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide is CCCc1nc2[nH]c(=O)cc(NC(=O)C(C)C)n2n1.
What is the InChIKey of 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The InChIKey is SHHFMQNNOLONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-5-8-13-12-15-10(18)6-9(17(12)16-8)14-11(19)7(2)3/h6-7H,4-5H2,1-3H3,(H,14,19)(H,13,15,16,18).
What are the key properties of 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide has a molecular weight of 263.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide is sourced from PubChem (CID 135519753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).