N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H12N6O2 — CID 6863675

IUPACN-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N/N=C/c3ccco3)nc2n1
InChIInChI=1S/C13H12N6O2/c1-8-6-9(2)19-13(15-8)16-11(18-19)12(20)17-14-7-10-4-3-5-21-10/h3-7H,1-2H3,(H,17,20)/b14-7+
InChIKeyWSIYNPQVZVOGLP-VGOFMYFVSA-N
MW284.28 g/mol
LogP1.10
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 6863675) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID6863675
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N/N=C/c3ccco3)nc2n1
InChIInChI=1S/C13H12N6O2/c1-8-6-9(2)19-13(15-8)16-11(18-19)12(20)17-14-7-10-4-3-5-21-10/h3-7H,1-2H3,(H,17,20)/b14-7+
InChIKeyWSIYNPQVZVOGLP-VGOFMYFVSA-N
XLogP1.10
TPSA97.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24768401
[2-(Furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2465250
N-[(E)-1-(furan-2-yl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 5903220
6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl][1,2,4]triazolo[4,3-b]pyridazine
CID 9682341
6-Chloro-2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 935032
N-[(E)-1-(furan-2-yl)ethylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 9608509
2-(Furan-2-yl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 753361
N-{7-Methyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}furan-2-carboxamide
CID 23607360
N-(2-furylmethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821828
N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2238690
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(E)-furan-2-ylmethylidene]-5-methyl-4H-1,2,4-triazol-4-amine
CID 9563667
N-(2-furylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2234048

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 6863675) is N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N/N=C/c3ccco3)nc2n1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WSIYNPQVZVOGLP-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-8-6-9(2)19-13(15-8)16-11(18-19)12(20)17-14-7-10-4-3-5-21-10/h3-7H,1-2H3,(H,17,20)/b14-7+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 6863675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).