N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide

C17H17FN6O3 — CID 24515187

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1cc(C)n2nc(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)nc2n1
InChIInChI=1S/C17H17FN6O3/c1-9-8-10(2)24-17(19-9)20-14(23-24)16(26)22-21-15(25)11(3)27-13-6-4-12(18)5-7-13/h4-8,11H,1-3H3,(H,21,25)(H,22,26)
InChIKeyJRHTXOOPIXYEFU-UHFFFAOYSA-N
MW372.36 g/mol
LogP1.11
Rot. Bonds4

About N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (PubChem CID 24515187) has the molecular formula C17H17FN6O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
PubChem CID24515187
Molecular FormulaC17H17FN6O3
Molecular Weight372.36 g/mol
Exact Mass372.13
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESCc1cc(C)n2nc(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)nc2n1
InChIInChI=1S/C17H17FN6O3/c1-9-8-10(2)24-17(19-9)20-14(23-24)16(26)22-21-15(25)11(3)27-13-6-4-12(18)5-7-13/h4-8,11H,1-3H3,(H,21,25)(H,22,26)
InChIKeyJRHTXOOPIXYEFU-UHFFFAOYSA-N
XLogP1.11
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 8057131
7-(difluoromethyl)-N-(4-ethoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 974422
[1-(2-Methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 24980626
2-(4-Fluorophenoxy)ethyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2410779
2-(2,3-dimethylphenoxy)-N'-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]acetohydrazide
CID 7693050
7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 969630
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide
CID 6473417
N-{6-Chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}-2-phenoxypropanamide
CID 23607340
2-(4-Fluorophenoxy)-1-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-A]pyrimidin-7-YL}piperazin-1-YL)ethan-1-one
CID 53202867
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)-2-(2-fluorophenoxy)acetamide
CID 71805381
N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 131906642
6-ethyl-2-[(4-fluorophenoxy)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 9901914

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide (CID 24515187) is N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is Cc1cc(C)n2nc(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)nc2n1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
The InChIKey is JRHTXOOPIXYEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O3/c1-9-8-10(2)24-17(19-9)20-14(23-24)16(26)22-21-15(25)11(3)27-13-6-4-12(18)5-7-13/h4-8,11H,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide has a molecular weight of 372.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 24515187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).