7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H20N6O2 — CID 55675387

IUPAC7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2nc3nccc(C)n3n2)cc1
InChIInChI=1S/C18H20N6O2/c1-4-15(25)21-14-7-5-13(6-8-14)12(3)20-17(26)16-22-18-19-10-9-11(2)24(18)23-16/h5-10,12H,4H2,1-3H3,(H,20,26)(H,21,25)
InChIKeySLMLEVWSOPCCED-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.27
Rot. Bonds5

About 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 55675387) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID55675387
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2nc3nccc(C)n3n2)cc1
InChIInChI=1S/C18H20N6O2/c1-4-15(25)21-14-7-5-13(6-8-14)12(3)20-17(26)16-22-18-19-10-9-11(2)24(18)23-16/h5-10,12H,4H2,1-3H3,(H,20,26)(H,21,25)
InChIKeySLMLEVWSOPCCED-UHFFFAOYSA-N
XLogP2.27
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8751718
N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2516944
7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18084276
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
CID 43630919
N-[4-(4-ethoxyphenoxy)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8873482
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60618502
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
7-methyl-N-(4-phenyldiazenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8886551
N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51851731
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
[1-(4-chloroanilino)-1-oxopropan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 42974621

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 55675387) is 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2nc3nccc(C)n3n2)cc1.
What is the InChIKey of 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SLMLEVWSOPCCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-4-15(25)21-14-7-5-13(6-8-14)12(3)20-17(26)16-22-18-19-10-9-11(2)24(18)23-16/h5-10,12H,4H2,1-3H3,(H,20,26)(H,21,25).
What are the key properties of 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 55675387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).