N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide

C11H10N6O2 — CID 2767367

IUPACN'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide
SMILESCONC=Nc1nc2nccc(-c3ccco3)n2n1
InChIInChI=1S/C11H10N6O2/c1-18-14-7-13-10-15-11-12-5-4-8(17(11)16-10)9-3-2-6-19-9/h2-7H,1H3,(H,13,14,16)
InChIKeyITDDFHLBCJURRN-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.20
Rot. Bonds4

About N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide

N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide (PubChem CID 2767367) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide.

Molecular Properties

Compound NameN'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide
PubChem CID2767367
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC NameN'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide
SMILESCONC=Nc1nc2nccc(-c3ccco3)n2n1
InChIInChI=1S/C11H10N6O2/c1-18-14-7-13-10-15-11-12-5-4-8(17(11)16-10)9-3-2-6-19-9/h2-7H,1H3,(H,13,14,16)
InChIKeyITDDFHLBCJURRN-UHFFFAOYSA-N
XLogP1.20
TPSA89.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide?
The IUPAC name of N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide (CID 2767367) is N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide.
What is the SMILES notation for N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide?
The canonical SMILES for N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide is CONC=Nc1nc2nccc(-c3ccco3)n2n1.
What is the InChIKey of N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide?
The InChIKey is ITDDFHLBCJURRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-18-14-7-13-10-15-11-12-5-4-8(17(11)16-10)9-3-2-6-19-9/h2-7H,1H3,(H,13,14,16).
What are the key properties of N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide?
N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide has a molecular weight of 258.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N-methoxymethanimidamide is sourced from PubChem (CID 2767367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).