methyl 1-pyridazin-3-yltriazole-4-carboxylate

C8H7N5O2 — CID 16727590

IUPACmethyl 1-pyridazin-3-yltriazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2cccnn2)nn1
InChIInChI=1S/C8H7N5O2/c1-15-8(14)6-5-13(12-10-6)7-3-2-4-9-11-7/h2-5H,1H3
InChIKeyYAIYIRWGBYANGS-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.16
Rot. Bonds2

About methyl 1-pyridazin-3-yltriazole-4-carboxylate

methyl 1-pyridazin-3-yltriazole-4-carboxylate (PubChem CID 16727590) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is methyl 1-pyridazin-3-yltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-pyridazin-3-yltriazole-4-carboxylate
PubChem CID16727590
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Namemethyl 1-pyridazin-3-yltriazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2cccnn2)nn1
InChIInChI=1S/C8H7N5O2/c1-15-8(14)6-5-13(12-10-6)7-3-2-4-9-11-7/h2-5H,1H3
InChIKeyYAIYIRWGBYANGS-UHFFFAOYSA-N
XLogP-0.16
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-pyridazin-3-yltriazole-4-carboxylate 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

methyl prop-2-ynoate;methyl 1-pyridin-2-yltriazole-4-carboxylate
CID 174215060
methyl 1-(4-aminophenyl)triazole-4-carboxylate
CID 28819360
dimethyl 5-(4-methoxycarbonyltriazol-1-yl)benzene-1,3-dicarboxylate
CID 122241480
methyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
CID 122241294
methyl 1-[2-(trifluoromethoxy)phenyl]triazole-4-carboxylate
CID 122241369
methyl 1-(2,5-dichlorophenyl)triazole-4-carboxylate
CID 122241295
methyl 1-(3,4,5-trifluorophenyl)triazole-4-carboxylate
CID 122241205
(2S)-2-amino-3-[4-(4-methoxycarbonyltriazol-1-yl)phenyl]propanoic acid
CID 59910018
[(2S)-1-methoxy-3-[4-(4-methoxycarbonyltriazol-1-yl)phenyl]-1-oxopropan-2-yl]azanium
CID 59909908
methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxylate
CID 122241226
ethyl 1-(4-methoxycarbonylphenyl)triazole-4-carboxylate
CID 122241318
ethyl 1-(4-methyl-2-pyridinyl)triazole-4-carboxylate
CID 15459344

Frequently Asked Questions

What is the IUPAC name of methyl 1-pyridazin-3-yltriazole-4-carboxylate?
The IUPAC name of methyl 1-pyridazin-3-yltriazole-4-carboxylate (CID 16727590) is methyl 1-pyridazin-3-yltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-pyridazin-3-yltriazole-4-carboxylate?
The canonical SMILES for methyl 1-pyridazin-3-yltriazole-4-carboxylate is COC(=O)c1cn(-c2cccnn2)nn1.
What is the InChIKey of methyl 1-pyridazin-3-yltriazole-4-carboxylate?
The InChIKey is YAIYIRWGBYANGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c1-15-8(14)6-5-13(12-10-6)7-3-2-4-9-11-7/h2-5H,1H3.
What are the key properties of methyl 1-pyridazin-3-yltriazole-4-carboxylate?
methyl 1-pyridazin-3-yltriazole-4-carboxylate has a molecular weight of 205.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pyridazin-3-yltriazole-4-carboxylate is sourced from PubChem (CID 16727590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).