N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H20N8O — CID 5419494

IUPACN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nc(C)c(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1C
InChIInChI=1S/C16H20N8O/c1-6-23-12(5)13(11(4)21-23)8-17-20-15(25)14-19-16-18-9(2)7-10(3)24(16)22-14/h7-8H,6H2,1-5H3,(H,20,25)/b17-8+
InChIKeyXSDQJJMMGQZIRT-CAOOACKPSA-N
MW340.39 g/mol
LogP1.34
Rot. Bonds4

About N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 5419494) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID5419494
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nc(C)c(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1C
InChIInChI=1S/C16H20N8O/c1-6-23-12(5)13(11(4)21-23)8-17-20-15(25)14-19-16-18-9(2)7-10(3)24(16)22-14/h7-8H,6H2,1-5H3,(H,20,25)/b17-8+
InChIKeyXSDQJJMMGQZIRT-CAOOACKPSA-N
XLogP1.34
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 5419491
2-tert-butyl-6-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56759208
5-{4-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperazin-1-yl}[1,2,4]triazolo[4,3-a]pyrimidine
CID 91783075
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanehydrazide
CID 92493946
N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 920294
N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 920307
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43073940
2-[4-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-1-yl]-N-(2-methyl-2H-1,2,3-triazol-4-yl)acetamide
CID 46983971
N-[1-(1-ethylpropyl)-4-methyl-1H-pyrazol-5-yl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46998484
5,7-dimethyl-N-(2-(6-oxo-3-(1H-1,2,4-triazol-1-yl)pyridazin-1(6H)-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71805267
(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72143117
4-(1-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl}pyrrolidin-2-yl)-1,3-dimethyl-1H-pyrazole
CID 139006138

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 5419494) is N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCn1nc(C)c(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1C.
What is the InChIKey of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XSDQJJMMGQZIRT-CAOOACKPSA-N. The full InChI is InChI=1S/C16H20N8O/c1-6-23-12(5)13(11(4)21-23)8-17-20-15(25)14-19-16-18-9(2)7-10(3)24(16)22-14/h7-8H,6H2,1-5H3,(H,20,25)/b17-8+.
What are the key properties of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 5419494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).