N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

C10H13N5O2 — CID 23607394

IUPACN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C10H13N5O2/c1-4-7(16)12-9-13-10-11-6(3)5(2)8(17)15(10)14-9/h4H2,1-3H3,(H2,11,12,13,14,16)
InChIKeyUNDFLLLVNQMSHA-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.38
Rot. Bonds2

About N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 23607394) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID23607394
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C10H13N5O2/c1-4-7(16)12-9-13-10-11-6(3)5(2)8(17)15(10)14-9/h4H2,1-3H3,(H2,11,12,13,14,16)
InChIKeyUNDFLLLVNQMSHA-UHFFFAOYSA-N
XLogP0.38
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-4(3H)-pyrimidinone
CID 135464837
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 930424
N-(6-Ethyl-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-acetamide
CID 707206
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 930740
2,5,6-trimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 15123685
2-Hydrazinyl-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 135876280
N-(7-Hydroxy-5-isopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-propionamide
CID 606310
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 930380
N'-(4,5-Dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)acetohydrazide
CID 135437413
2-Amino-6-ethyl-5-methyl[1,2,4]triazolo[1,5-A]pyrimidin-7-OL
CID 4150420
2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63744067
N-(5-tert-butyl-7-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 801714

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The IUPAC name of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 23607394) is N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is CCC(=O)Nc1nc2nc(C)c(C)c(=O)n2[nH]1.
What is the InChIKey of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The InChIKey is UNDFLLLVNQMSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-4-7(16)12-9-13-10-11-6(3)5(2)8(17)15(10)14-9/h4H2,1-3H3,(H2,11,12,13,14,16).
What are the key properties of N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide has a molecular weight of 235.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 23607394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).