2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide

C16H17N7O3 — CID 9078398

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H17N7O3/c1-10-12(11(2)23-16(19-10)17-9-18-23)7-13(24)20-21-14(25)8-22-6-4-3-5-15(22)26/h3-6,9H,7-8H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyZXQUDGSSZWLIFL-UHFFFAOYSA-N
MW355.36 g/mol
LogP-0.71
Rot. Bonds4

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide (PubChem CID 9078398) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
PubChem CID9078398
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H17N7O3/c1-10-12(11(2)23-16(19-10)17-9-18-23)7-13(24)20-21-14(25)8-22-6-4-3-5-15(22)26/h3-6,9H,7-8H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyZXQUDGSSZWLIFL-UHFFFAOYSA-N
XLogP-0.71
TPSA123.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide
CID 9033453
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetohydrazide
CID 9272311
N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylbenzohydrazide
CID 9429397
N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 8929308
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224927
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylacetamide
CID 9207602
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 20863535
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9074040
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-hydroxyphenyl)propanamide
CID 51284456
N'-[2-(2-chlorophenoxy)acetyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanehydrazide
CID 9427887
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163412

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide (CID 9078398) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide is Cc1nc2ncnn2c(C)c1CC(=O)NNC(=O)Cn1ccccc1=O.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
The InChIKey is ZXQUDGSSZWLIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-10-12(11(2)23-16(19-10)17-9-18-23)7-13(24)20-21-14(25)8-22-6-4-3-5-15(22)26/h3-6,9H,7-8H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide has a molecular weight of 355.36 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide is sourced from PubChem (CID 9078398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).