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

C16H20N8O — CID 920307

IUPACN-[(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=NNC(=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)
InChIKeyXSDQJJMMGQZIRT-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.34
Rot. Bonds4

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

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 920307) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(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-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID920307
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-[(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=NNC(=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)
InChIKeyXSDQJJMMGQZIRT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(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-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 920307) is N-[(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-[(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-[(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=NNC(=O)c2nc3nc(C)cc(C)n3n2)c1C.
What is the InChIKey of N-[(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-UHFFFAOYSA-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).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(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-[(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 920307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).