3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide

C18H21N5O2 — CID 20863883

IUPAC3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide
SMILESCc1nc2nc[nH]n2c(=O)c1CCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-12(14-6-4-3-5-7-14)10-19-16(24)9-8-15-13(2)22-18-20-11-21-23(18)17(15)25/h3-7,11-12H,8-10H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyILKZUSKHAOKSHR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.58
Rot. Bonds6

About 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide

3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide (PubChem CID 20863883) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide
PubChem CID20863883
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide
SMILESCc1nc2nc[nH]n2c(=O)c1CCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-12(14-6-4-3-5-7-14)10-19-16(24)9-8-15-13(2)22-18-20-11-21-23(18)17(15)25/h3-7,11-12H,8-10H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyILKZUSKHAOKSHR-UHFFFAOYSA-N
XLogP1.58
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-diphenylethyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 154857907
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 91641148
methyl (2S)-2-[3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-3-phenylpropanoate
CID 91640715
3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-(phenylcarbamoylamino)phenyl]methyl]propanamide
CID 166188489
N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 42569443
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46979007
N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46255790
6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 154863361
2,4-dimethyl-3-[3-oxo-3-(2-phenylpropylamino)propyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 42928439
N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 92604345
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-3-phenylbutyl]propanamide
CID 52508735

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide?
The IUPAC name of 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide (CID 20863883) is 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide is Cc1nc2nc[nH]n2c(=O)c1CCC(=O)NCC(C)c1ccccc1.
What is the InChIKey of 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide?
The InChIKey is ILKZUSKHAOKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(14-6-4-3-5-7-14)10-19-16(24)9-8-15-13(2)22-18-20-11-21-23(18)17(15)25/h3-7,11-12H,8-10H2,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide?
3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 20863883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).