ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate

C18H25N5O3 — CID 3236608

IUPACethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CCc1c(C)nc2ncnn2c1C
InChIInChI=1S/C18H25N5O3/c1-4-26-17(25)15-7-5-6-10-22(15)16(24)9-8-14-12(2)21-18-19-11-20-23(18)13(14)3/h11,15H,4-10H2,1-3H3
InChIKeyDHORUXAODMQXLQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.62
Rot. Bonds5

About ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate

ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate (PubChem CID 3236608) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate
PubChem CID3236608
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nameethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CCc1c(C)nc2ncnn2c1C
InChIInChI=1S/C18H25N5O3/c1-4-26-17(25)15-7-5-6-10-22(15)16(24)9-8-14-12(2)21-18-19-11-20-23(18)13(14)3/h11,15H,4-10H2,1-3H3
InChIKeyDHORUXAODMQXLQ-UHFFFAOYSA-N
XLogP1.62
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate (CID 3236608) is ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)CCc1c(C)nc2ncnn2c1C.
What is the InChIKey of ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate?
The InChIKey is DHORUXAODMQXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-4-26-17(25)15-7-5-6-10-22(15)16(24)9-8-14-12(2)21-18-19-11-20-23(18)13(14)3/h11,15H,4-10H2,1-3H3.
What are the key properties of ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate?
ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 3236608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).