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

C14H25N5O2 — CID 64578452

IUPACethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(CN1CCn2cnnc2C1)C(=O)OCC
InChIInChI=1S/C14H25N5O2/c1-4-6-15-14(3,13(20)21-5-2)10-18-7-8-19-11-16-17-12(19)9-18/h11,15H,4-10H2,1-3H3
InChIKeyGNVFYBHGWPGIJW-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.42
Rot. Bonds7

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

ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate (PubChem CID 64578452) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate
PubChem CID64578452
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Nameethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(CN1CCn2cnnc2C1)C(=O)OCC
InChIInChI=1S/C14H25N5O2/c1-4-6-15-14(3,13(20)21-5-2)10-18-7-8-19-11-16-17-12(19)9-18/h11,15H,4-10H2,1-3H3
InChIKeyGNVFYBHGWPGIJW-UHFFFAOYSA-N
XLogP0.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate 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

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66453247
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate
CID 64579622
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64826630
N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 115622101
methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate
CID 63026304
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbut-2-enoic acid
CID 77101124
ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 102966305
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
1-amino-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylbutan-2-ol
CID 64819132
ethyl 3-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)propanoate
CID 104691578
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline
CID 64580438

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate?
The IUPAC name of ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate (CID 64578452) is ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate?
The canonical SMILES for ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate is CCCNC(C)(CN1CCn2cnnc2C1)C(=O)OCC.
What is the InChIKey of ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate?
The InChIKey is GNVFYBHGWPGIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-6-15-14(3,13(20)21-5-2)10-18-7-8-19-11-16-17-12(19)9-18/h11,15H,4-10H2,1-3H3.
What are the key properties of ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate?
ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate has a molecular weight of 295.39 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanoate is sourced from PubChem (CID 64578452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).