[5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol

C9H9IN4O — CID 125478317

IUPAC[5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccnc2)c1I
InChIInChI=1S/C9H9IN4O/c10-9-8(6-15)12-13-14(9)5-7-2-1-3-11-4-7/h1-4,15H,5-6H2
InChIKeyFCKOTFBWFVBULO-UHFFFAOYSA-N
MW316.10 g/mol
LogP0.82
Rot. Bonds3

About [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol

[5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol (PubChem CID 125478317) has the molecular formula C9H9IN4O and a molecular weight of 316.10 g/mol. Its IUPAC name is [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol
PubChem CID125478317
Molecular FormulaC9H9IN4O
Molecular Weight316.10 g/mol
Exact Mass315.98
IUPAC Name[5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccnc2)c1I
InChIInChI=1S/C9H9IN4O/c10-9-8(6-15)12-13-14(9)5-7-2-1-3-11-4-7/h1-4,15H,5-6H2
InChIKeyFCKOTFBWFVBULO-UHFFFAOYSA-N
XLogP0.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82211803
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
tert-butyl 5-methyl-1-(pyridin-3-ylmethyl)triazole-4-carboxylate
CID 103112569
5-tert-butyl-1-(pyridin-3-ylmethyl)triazole-4-carboxylic acid
CID 55031458
[1-(pyridin-3-ylmethyl)indazol-6-yl]methanol
CID 90133560
3-(pyridin-3-ylmethyl)triazole-4-carboxylic acid
CID 83638287
[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanol
CID 66398061
bromomethane;pyridin-3-ylmethanol
CID 158702197
[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
CID 82208683
2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 1096899
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446

Frequently Asked Questions

What is the IUPAC name of [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol (CID 125478317) is [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol is OCc1nnn(Cc2cccnc2)c1I.
What is the InChIKey of [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol?
The InChIKey is FCKOTFBWFVBULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4O/c10-9-8(6-15)12-13-14(9)5-7-2-1-3-11-4-7/h1-4,15H,5-6H2.
What are the key properties of [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol?
[5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol has a molecular weight of 316.10 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 125478317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).