N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide

C17H18N6O3 — CID 7660294

IUPACN'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C17H18N6O3/c1-10-8-11(2)23-17(18-10)19-14(22-23)9-15(24)20-21-16(25)12-4-6-13(26-3)7-5-12/h4-8H,9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyOHBDFJDIPVZJQW-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.75
Rot. Bonds4

About N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide

N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide (PubChem CID 7660294) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide
PubChem CID7660294
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C17H18N6O3/c1-10-8-11(2)23-17(18-10)19-14(22-23)9-15(24)20-21-16(25)12-4-6-13(26-3)7-5-12/h4-8H,9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyOHBDFJDIPVZJQW-UHFFFAOYSA-N
XLogP0.75
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.75
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

N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545
5-(4-Ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 726942
4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4784308
2-(4-methoxyphenyl)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532425
N'-(4,6-Dimethyl-2-pyrimidinyl)-3-methoxybenzohydrazide
CID 585625
N-(4-methoxyphenyl)-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
CID 9551399
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide
CID 162653907
1-(4-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-yl]oxy}phenyl)ethanone
CID 657680
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2540428

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide (CID 7660294) is N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1.
What is the InChIKey of N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide?
The InChIKey is OHBDFJDIPVZJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-10-8-11(2)23-17(18-10)19-14(22-23)9-15(24)20-21-16(25)12-4-6-13(26-3)7-5-12/h4-8H,9H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide?
N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide has a molecular weight of 354.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 7660294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).