5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde

C10H10N4O2 — CID 107043162

IUPAC5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde
SMILESCn1cc(COc2ccc(C=O)nc2)nn1
InChIInChI=1S/C10H10N4O2/c1-14-5-9(12-13-14)7-16-10-3-2-8(6-15)11-4-10/h2-6H,7H2,1H3
InChIKeyWINNKHDMRRQDNK-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.60
Rot. Bonds4

About 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde

5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde (PubChem CID 107043162) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde
PubChem CID107043162
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde
SMILESCn1cc(COc2ccc(C=O)nc2)nn1
InChIInChI=1S/C10H10N4O2/c1-14-5-9(12-13-14)7-16-10-3-2-8(6-15)11-4-10/h2-6H,7H2,1H3
InChIKeyWINNKHDMRRQDNK-UHFFFAOYSA-N
XLogP0.60
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794226
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173
3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine
CID 107043116
N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine
CID 107041583
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde
CID 82892009
5-but-2-ynoxypyridine-2-carbaldehyde
CID 79794219
1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 107041224
(1-methyltriazol-4-yl)methyl 2-(4-aminophenoxy)acetate
CID 107052085
5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794312
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde (CID 107043162) is 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde is Cn1cc(COc2ccc(C=O)nc2)nn1.
What is the InChIKey of 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde?
The InChIKey is WINNKHDMRRQDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-14-5-9(12-13-14)7-16-10-3-2-8(6-15)11-4-10/h2-6H,7H2,1H3.
What are the key properties of 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde?
5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde has a molecular weight of 218.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 107043162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).