N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C18H19N5O3 — CID 3244842

IUPACN-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(C)n2n1
InChIInChI=1S/C18H19N5O3/c1-10-14(11(2)23-18(19-10)20-12(3)22-23)5-7-17(24)21-13-4-6-15-16(8-13)26-9-25-15/h4,6,8H,5,7,9H2,1-3H3,(H,21,24)
InChIKeyYYFOXZXTTXVNAB-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.35
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 3244842) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID3244842
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(C)n2n1
InChIInChI=1S/C18H19N5O3/c1-10-14(11(2)23-18(19-10)20-12(3)22-23)5-7-17(24)21-13-4-6-15-16(8-13)26-9-25-15/h4,6,8H,5,7,9H2,1-3H3,(H,21,24)
InChIKeyYYFOXZXTTXVNAB-UHFFFAOYSA-N
XLogP2.35
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
CID 9551399
N-1,3-benzodioxol-5-yl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982379
N-(benzo[d][1,3]dioxol-5-yl)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407245
Benzo[1,3]dioxol-5-yl-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 650528
N-(1,3-Benzodioxol-5-yl)-5-isopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 653043
1-(5-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-4-carboxylic acid (3,4-dimethoxy-phenyl)-amide
CID 653614
1-(5-Propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 653680
N-1,3-benzodioxol-5-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251504
N-1,3-benzodioxol-5-yl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256595
N-1,3-benzodioxol-5-yl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088501
N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2438361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2458272

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 3244842) is N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(C)n2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is YYFOXZXTTXVNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-10-14(11(2)23-18(19-10)20-12(3)22-23)5-7-17(24)21-13-4-6-15-16(8-13)26-9-25-15/h4,6,8H,5,7,9H2,1-3H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 353.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 3244842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).