1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol

C13H19N5O2 — CID 135510901

IUPAC1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol
SMILESCc1nc(N)c2nc(/C=N/O)n(CC(C)(C)O)c2c1C
InChIInChI=1S/C13H19N5O2/c1-7-8(2)16-12(14)10-11(7)18(6-13(3,4)19)9(17-10)5-15-20/h5,19-20H,6H2,1-4H3,(H2,14,16)/b15-5+
InChIKeyOKBGOAPZBNKWRC-PJQLUOCWSA-N
MW277.33 g/mol
LogP1.21
Rot. Bonds3

About 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol (PubChem CID 135510901) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol
PubChem CID135510901
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol
SMILESCc1nc(N)c2nc(/C=N/O)n(CC(C)(C)O)c2c1C
InChIInChI=1S/C13H19N5O2/c1-7-8(2)16-12(14)10-11(7)18(6-13(3,4)19)9(17-10)5-15-20/h5,19-20H,6H2,1-4H3,(H2,14,16)/b15-5+
InChIKeyOKBGOAPZBNKWRC-PJQLUOCWSA-N
XLogP1.21
TPSA109.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol (CID 135510901) is 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol is Cc1nc(N)c2nc(/C=N/O)n(CC(C)(C)O)c2c1C.
What is the InChIKey of 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
The InChIKey is OKBGOAPZBNKWRC-PJQLUOCWSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-7-8(2)16-12(14)10-11(7)18(6-13(3,4)19)9(17-10)5-15-20/h5,19-20H,6H2,1-4H3,(H2,14,16)/b15-5+.
What are the key properties of 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol has a molecular weight of 277.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[(E)-hydroxyiminomethyl]-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 135510901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).