N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C12H14N6O2 — CID 106597215

IUPACN'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCn1cnc(Oc2nc3c(cc2C(N)=NO)CCC3)n1
InChIInChI=1S/C12H14N6O2/c1-18-6-14-12(16-18)20-11-8(10(13)17-19)5-7-3-2-4-9(7)15-11/h5-6,19H,2-4H2,1H3,(H2,13,17)
InChIKeyYHJXASYLYKASOY-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.59
Rot. Bonds3

About N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 106597215) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID106597215
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC NameN'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCn1cnc(Oc2nc3c(cc2C(N)=NO)CCC3)n1
InChIInChI=1S/C12H14N6O2/c1-18-6-14-12(16-18)20-11-8(10(13)17-19)5-7-3-2-4-9(7)15-11/h5-6,19H,2-4H2,1H3,(H2,13,17)
InChIKeyYHJXASYLYKASOY-UHFFFAOYSA-N
XLogP0.59
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 106597215) is N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is Cn1cnc(Oc2nc3c(cc2C(N)=NO)CCC3)n1.
What is the InChIKey of N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is YHJXASYLYKASOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-18-6-14-12(16-18)20-11-8(10(13)17-19)5-7-3-2-4-9(7)15-11/h5-6,19H,2-4H2,1H3,(H2,13,17).
What are the key properties of N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 274.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 106597215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).