5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol

C13H13N7O2 — CID 135417283

IUPAC5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ncnc3nc[nH]c23)c1O
InChIInChI=1S/C13H13N7O2/c1-7-11(22)9(8(4-21)2-14-7)3-19-20-13-10-12(16-5-15-10)17-6-18-13/h2-3,5-6,21-22H,4H2,1H3,(H2,15,16,17,18,20)/b19-3+
InChIKeyFZBXUWMHJRACME-QBROUFQSSA-N
MW299.29 g/mol
LogP0.70
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol (PubChem CID 135417283) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol
PubChem CID135417283
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ncnc3nc[nH]c23)c1O
InChIInChI=1S/C13H13N7O2/c1-7-11(22)9(8(4-21)2-14-7)3-19-20-13-10-12(16-5-15-10)17-6-18-13/h2-3,5-6,21-22H,4H2,1H3,(H2,15,16,17,18,20)/b19-3+
InChIKeyFZBXUWMHJRACME-QBROUFQSSA-N
XLogP0.70
TPSA132.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol (CID 135417283) is 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/Nc2ncnc3nc[nH]c23)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol?
The InChIKey is FZBXUWMHJRACME-QBROUFQSSA-N. The full InChI is InChI=1S/C13H13N7O2/c1-7-11(22)9(8(4-21)2-14-7)3-19-20-13-10-12(16-5-15-10)17-6-18-13/h2-3,5-6,21-22H,4H2,1H3,(H2,15,16,17,18,20)/b19-3+.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol has a molecular weight of 299.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(E)-(7H-purin-6-ylhydrazinylidene)methyl]pyridin-3-ol is sourced from PubChem (CID 135417283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).