ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate

C18H19N5O2 — CID 139617261

IUPACethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
SMILESCCOC(=O)Cc1nnc2c(CC3CC3)nc(-c3cccnc3)cn12
InChIInChI=1S/C18H19N5O2/c1-2-25-17(24)9-16-21-22-18-14(8-12-5-6-12)20-15(11-23(16)18)13-4-3-7-19-10-13/h3-4,7,10-12H,2,5-6,8-9H2,1H3
InChIKeyGIWGUMDQWBJIAW-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.24
Rot. Bonds6

About ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate

ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate (PubChem CID 139617261) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
PubChem CID139617261
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Nameethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
SMILESCCOC(=O)Cc1nnc2c(CC3CC3)nc(-c3cccnc3)cn12
InChIInChI=1S/C18H19N5O2/c1-2-25-17(24)9-16-21-22-18-14(8-12-5-6-12)20-15(11-23(16)18)13-4-3-7-19-10-13/h3-4,7,10-12H,2,5-6,8-9H2,1H3
InChIKeyGIWGUMDQWBJIAW-UHFFFAOYSA-N
XLogP2.24
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate 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-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate?
The IUPAC name of ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate (CID 139617261) is ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate?
The canonical SMILES for ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate is CCOC(=O)Cc1nnc2c(CC3CC3)nc(-c3cccnc3)cn12.
What is the InChIKey of ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate?
The InChIKey is GIWGUMDQWBJIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-25-17(24)9-16-21-22-18-14(8-12-5-6-12)20-15(11-23(16)18)13-4-3-7-19-10-13/h3-4,7,10-12H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate?
ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate has a molecular weight of 337.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate is sourced from PubChem (CID 139617261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).