1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone

C11H12N4O2 — CID 167791255

IUPAC1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone
SMILESCOc1cncc(Cn2cc(C(C)=O)nn2)c1
InChIInChI=1S/C11H12N4O2/c1-8(16)11-7-15(14-13-11)6-9-3-10(17-2)5-12-4-9/h3-5,7H,6H2,1-2H3
InChIKeyPPFUEIGARUTCMM-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.93
Rot. Bonds4

About 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone

1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone (PubChem CID 167791255) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone
PubChem CID167791255
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone
SMILESCOc1cncc(Cn2cc(C(C)=O)nn2)c1
InChIInChI=1S/C11H12N4O2/c1-8(16)11-7-15(14-13-11)6-9-3-10(17-2)5-12-4-9/h3-5,7H,6H2,1-2H3
InChIKeyPPFUEIGARUTCMM-UHFFFAOYSA-N
XLogP0.93
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(5-chlorothiophen-3-yl)methyl]triazol-4-yl]ethanone
CID 130877799
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
1-[1-[(2-methyltetrazol-5-yl)methyl]triazol-4-yl]ethanone
CID 130566954
1-[1-[(4-bromothiophen-2-yl)methyl]triazol-4-yl]ethanone
CID 130566972
1-[1-(2-fluoroethyl)triazol-4-yl]ethanone
CID 126982419
methyl 1-(naphthalen-2-ylmethyl)triazole-4-carboxylate
CID 122241268
1-[(3-chloro-4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 83662613
1-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanone
CID 130566968
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone
CID 130566930
1-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanone
CID 130604279
1-[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]ethanone
CID 164663036
methyl 1-[(3-ethylimidazol-4-yl)methyl]triazole-4-carboxylate
CID 103107801

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone?
The IUPAC name of 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone (CID 167791255) is 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone is COc1cncc(Cn2cc(C(C)=O)nn2)c1.
What is the InChIKey of 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone?
The InChIKey is PPFUEIGARUTCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8(16)11-7-15(14-13-11)6-9-3-10(17-2)5-12-4-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone?
1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone has a molecular weight of 232.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone is sourced from PubChem (CID 167791255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).