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

C15H15N7O2 — CID 9033453

IUPACN'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C15H15N7O2/c1-9-11(10(2)22-15(19-9)17-8-18-22)7-13(23)20-21-14(24)12-5-3-4-6-16-12/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeySYDIPXGLQDORTP-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.14
Rot. Bonds3

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

N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide (PubChem CID 9033453) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide
PubChem CID9033453
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC NameN'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C15H15N7O2/c1-9-11(10(2)22-15(19-9)17-8-18-22)7-13(23)20-21-14(24)12-5-3-4-6-16-12/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeySYDIPXGLQDORTP-UHFFFAOYSA-N
XLogP0.14
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.14
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-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9078398
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
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
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9074040
N-[[4-(dimethylamino)phenyl]methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9305388
N'-[2-(2-chlorophenoxy)acetyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanehydrazide
CID 9427887
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 20863535
methyl 2-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]oxyacetyl]amino]benzoate
CID 8818219
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-hydroxyphenyl)propanamide
CID 51284456
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8818191

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide (CID 9033453) is N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide is Cc1nc2ncnn2c(C)c1CC(=O)NNC(=O)c1ccccn1.
What is the InChIKey of N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide?
The InChIKey is SYDIPXGLQDORTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-9-11(10(2)22-15(19-9)17-8-18-22)7-13(23)20-21-14(24)12-5-3-4-6-16-12/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide?
N'-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyridine-2-carbohydrazide has a molecular weight of 325.33 g/mol, XLogP of 0.14, 3 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-6-yl)acetyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9033453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).