7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C22H21N7 — CID 133327702

IUPAC7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1cc(N2CCn3c(nnc3-c3ccccc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H21N7/c1-2-18-14-19(25-21(24-18)16-8-10-23-11-9-16)28-12-13-29-20(15-28)26-27-22(29)17-6-4-3-5-7-17/h3-11,14H,2,12-13,15H2,1H3
InChIKeyWFAWGXJBMPJPKP-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.38
Rot. Bonds4

About 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 133327702) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID133327702
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1cc(N2CCn3c(nnc3-c3ccccc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C22H21N7/c1-2-18-14-19(25-21(24-18)16-8-10-23-11-9-16)28-12-13-29-20(15-28)26-27-22(29)17-6-4-3-5-7-17/h3-11,14H,2,12-13,15H2,1H3
InChIKeyWFAWGXJBMPJPKP-UHFFFAOYSA-N
XLogP3.38
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 133327702) is 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCc1cc(N2CCn3c(nnc3-c3ccccc3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WFAWGXJBMPJPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-2-18-14-19(25-21(24-18)16-8-10-23-11-9-16)28-12-13-29-20(15-28)26-27-22(29)17-6-4-3-5-7-17/h3-11,14H,2,12-13,15H2,1H3.
What are the key properties of 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 383.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 133327702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).