methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate

C11H17N5O4 — CID 103113456

IUPACmethyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OC)nnn1CC(=O)NNC(C)=O
InChIInChI=1S/C11H17N5O4/c1-4-5-8-10(11(19)20-3)14-15-16(8)6-9(18)13-12-7(2)17/h4-6H2,1-3H3,(H,12,17)(H,13,18)
InChIKeyJRHZKJOCQBEQLX-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.82
Rot. Bonds5

About methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate

methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate (PubChem CID 103113456) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate
PubChem CID103113456
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Namemethyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OC)nnn1CC(=O)NNC(C)=O
InChIInChI=1S/C11H17N5O4/c1-4-5-8-10(11(19)20-3)14-15-16(8)6-9(18)13-12-7(2)17/h4-6H2,1-3H3,(H,12,17)(H,13,18)
InChIKeyJRHZKJOCQBEQLX-UHFFFAOYSA-N
XLogP-0.82
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-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 1-(2-methylpropyl)-5-propyltriazole-4-carboxylate
CID 103113719
methyl 1-(2-ethoxyethyl)-5-propyltriazole-4-carboxylate
CID 103113453
methyl 1-(3-hydroxy-3-methylbutyl)-5-propyltriazole-4-carboxylate
CID 103113594
methyl 5-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]triazole-4-carboxylate
CID 103105822
methyl 1-[(1-hydroxycyclohexyl)methyl]-5-propyltriazole-4-carboxylate
CID 103113956
methyl 5-propyl-1-[(1-propyltetrazol-5-yl)methyl]triazole-4-carboxylate
CID 103113542
methyl 1-(3-methoxy-3-methylbutyl)-5-propyltriazole-4-carboxylate
CID 103113980
methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate
CID 103105730
methyl 1-[(1-methyltriazol-4-yl)methyl]-5-propyltriazole-4-carboxylate
CID 107052668
methyl 1-ethyl-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646162
methyl 1-(2-amino-2-oxoethyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 102643595
methyl 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carboxylate
CID 103113838

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate (CID 103113456) is methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate is CCCc1c(C(=O)OC)nnn1CC(=O)NNC(C)=O.
What is the InChIKey of methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate?
The InChIKey is JRHZKJOCQBEQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-4-5-8-10(11(19)20-3)14-15-16(8)6-9(18)13-12-7(2)17/h4-6H2,1-3H3,(H,12,17)(H,13,18).
What are the key properties of methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate?
methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate has a molecular weight of 283.29 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-propyltriazole-4-carboxylate is sourced from PubChem (CID 103113456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).