ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate

C14H23N5O2 — CID 64579622

IUPACethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate
SMILESCCOC(=O)C(CCN1CCn2cnnc2C1)NC1CC1
InChIInChI=1S/C14H23N5O2/c1-2-21-14(20)12(16-11-3-4-11)5-6-18-7-8-19-10-15-17-13(19)9-18/h10-12,16H,2-9H2,1H3
InChIKeyNJLKKAJFTROPPA-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.17
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate

ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate (PubChem CID 64579622) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate
PubChem CID64579622
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Nameethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate
SMILESCCOC(=O)C(CCN1CCn2cnnc2C1)NC1CC1
InChIInChI=1S/C14H23N5O2/c1-2-21-14(20)12(16-11-3-4-11)5-6-18-7-8-19-10-15-17-13(19)9-18/h10-12,16H,2-9H2,1H3
InChIKeyNJLKKAJFTROPPA-UHFFFAOYSA-N
XLogP0.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate 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 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate (CID 64579622) is ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate is CCOC(=O)C(CCN1CCn2cnnc2C1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate?
The InChIKey is NJLKKAJFTROPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-21-14(20)12(16-11-3-4-11)5-6-18-7-8-19-10-15-17-13(19)9-18/h10-12,16H,2-9H2,1H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate?
ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate has a molecular weight of 293.37 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate is sourced from PubChem (CID 64579622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).