methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate

C10H10N4O2 — CID 166390284

IUPACmethyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
SMILESCOC(=O)Cc1cn(-c2cccnc2)nn1
InChIInChI=1S/C10H10N4O2/c1-16-10(15)5-8-7-14(13-12-8)9-3-2-4-11-6-9/h2-4,6-7H,5H2,1H3
InChIKeyLBQYFWOETIHXKL-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.38
Rot. Bonds3

About methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate

methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate (PubChem CID 166390284) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
PubChem CID166390284
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Namemethyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
SMILESCOC(=O)Cc1cn(-c2cccnc2)nn1
InChIInChI=1S/C10H10N4O2/c1-16-10(15)5-8-7-14(13-12-8)9-3-2-4-11-6-9/h2-4,6-7H,5H2,1H3
InChIKeyLBQYFWOETIHXKL-UHFFFAOYSA-N
XLogP0.38
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820
2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine
CID 107587095
3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
3-[4-(2-chloroethyl)triazol-1-yl]pyridine
CID 107586784
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121198041
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197982
pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate
CID 121198078
1-(1-adamantyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198143

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate?
The IUPAC name of methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate (CID 166390284) is methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate?
The canonical SMILES for methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate is COC(=O)Cc1cn(-c2cccnc2)nn1.
What is the InChIKey of methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate?
The InChIKey is LBQYFWOETIHXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-10(15)5-8-7-14(13-12-8)9-3-2-4-11-6-9/h2-4,6-7H,5H2,1H3.
What are the key properties of methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate?
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate has a molecular weight of 218.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate is sourced from PubChem (CID 166390284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).