2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol

C10H12IN3O — CID 58316701

IUPAC2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1nc2ccc(I)cn2n1
InChIInChI=1S/C10H12IN3O/c1-10(2,6-15)9-12-8-4-3-7(11)5-14(8)13-9/h3-5,15H,6H2,1-2H3
InChIKeyPRTYRSFRJIJNBA-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.60
Rot. Bonds2

About 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol

2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol (PubChem CID 58316701) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol
PubChem CID58316701
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1nc2ccc(I)cn2n1
InChIInChI=1S/C10H12IN3O/c1-10(2,6-15)9-12-8-4-3-7(11)5-14(8)13-9/h3-5,15H,6H2,1-2H3
InChIKeyPRTYRSFRJIJNBA-UHFFFAOYSA-N
XLogP1.60
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol (CID 58316701) is 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol is CC(C)(CO)c1nc2ccc(I)cn2n1.
What is the InChIKey of 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol?
The InChIKey is PRTYRSFRJIJNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O/c1-10(2,6-15)9-12-8-4-3-7(11)5-14(8)13-9/h3-5,15H,6H2,1-2H3.
What are the key properties of 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol?
2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol has a molecular weight of 317.13 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 58316701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).