N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine

C12H18N6O — CID 131720865

IUPACN,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine
SMILESCC(C)N=C=NC(C)C.On1nnc2cccnc21
InChIInChI=1S/C7H14N2.C5H4N4O/c1-6(2)8-5-9-7(3)4;10-9-5-4(7-8-9)2-1-3-6-5/h6-7H,1-4H3;1-3,10H
InChIKeyPPVWPUFYWHNCLM-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.04
Rot. Bonds2

About N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine

N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine (PubChem CID 131720865) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine
PubChem CID131720865
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine
SMILESCC(C)N=C=NC(C)C.On1nnc2cccnc21
InChIInChI=1S/C7H14N2.C5H4N4O/c1-6(2)8-5-9-7(3)4;10-9-5-4(7-8-9)2-1-3-6-5/h6-7H,1-4H3;1-3,10H
InChIKeyPPVWPUFYWHNCLM-UHFFFAOYSA-N
XLogP2.04
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid
CID 67201217
triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
CID 175569203
3-(3-methylcyclobutyl)triazolo[4,5-b]pyridine
CID 168997176
1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine
CID 161246288
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;1-hydroxybenzotriazole;hexafluorophosphate
CID 174889398
3-hydroxytriazolo[4,5-b]pyrazine
CID 69177004
4-methylpyrido[2,3-e][1,2,4]triazin-3-one
CID 59061424
triazolo[4,5-b]pyridin-3-yl prop-2-enoate
CID 154003219
trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate
CID 141048536
[dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate
CID 175718482

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine?
The IUPAC name of N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine (CID 131720865) is N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine.
What is the SMILES notation for N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine?
The canonical SMILES for N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine is CC(C)N=C=NC(C)C.On1nnc2cccnc21.
What is the InChIKey of N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine?
The InChIKey is PPVWPUFYWHNCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C5H4N4O/c1-6(2)8-5-9-7(3)4;10-9-5-4(7-8-9)2-1-3-6-5/h6-7H,1-4H3;1-3,10H.
What are the key properties of N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine?
N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine has a molecular weight of 262.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine is sourced from PubChem (CID 131720865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).