2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

C11H12IN3O — CID 154514161

IUPAC2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1c(C)cc(I)n2nc(C3CC3)nc12
InChIInChI=1S/C11H12IN3O/c1-6-5-8(12)15-11(9(6)16-2)13-10(14-15)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyRIWOMLQSSQHPFC-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.53
Rot. Bonds2

About 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 154514161) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID154514161
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1c(C)cc(I)n2nc(C3CC3)nc12
InChIInChI=1S/C11H12IN3O/c1-6-5-8(12)15-11(9(6)16-2)13-10(14-15)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyRIWOMLQSSQHPFC-UHFFFAOYSA-N
XLogP2.53
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 88576732
CID 88576732
(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid
CID 58074662
2-cyclopropyl-8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 46833824
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
methyl 6-amino-5-methoxypyridine-2-carboxylate;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 162153799
7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 163532194
2-cyclopropyl-7-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 86820080
4-(4-methoxy-3,5-dimethylphenyl)cyclohexan-1-amine
CID 116962622
2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 91526003
2-cyclohexyl-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965248
7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 163944472
7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165476278

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 154514161) is 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is COc1c(C)cc(I)n2nc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RIWOMLQSSQHPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c1-6-5-8(12)15-11(9(6)16-2)13-10(14-15)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 329.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 154514161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).