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

C19H19N7 — CID 138022712

IUPAC7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1c[nH]c2ncnc(N3CCn4c(nnc4-c4ccccc4)C3)c12
InChIInChI=1S/C19H19N7/c1-2-13-10-20-17-16(13)19(22-12-21-17)25-8-9-26-15(11-25)23-24-18(26)14-6-4-3-5-7-14/h3-7,10,12H,2,8-9,11H2,1H3,(H,20,21,22)
InChIKeySJLCZZMNFVPADT-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.80
Rot. Bonds3

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

7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 138022712) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID138022712
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1c[nH]c2ncnc(N3CCn4c(nnc4-c4ccccc4)C3)c12
InChIInChI=1S/C19H19N7/c1-2-13-10-20-17-16(13)19(22-12-21-17)25-8-9-26-15(11-25)23-24-18(26)14-6-4-3-5-7-14/h3-7,10,12H,2,8-9,11H2,1H3,(H,20,21,22)
InChIKeySJLCZZMNFVPADT-UHFFFAOYSA-N
XLogP2.80
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 167791688
1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenylazetidin-3-ol
CID 167891247
5-ethyl-4-(3-ethyl-3-phenylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167869276
5-ethyl-4-(3-methylsulfinylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167781154
1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
CID 167868077
5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167907366
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine
CID 71926067
5-ethyl-4-(3-methoxy-3-methylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167797899
5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167944927
5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167867661
2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 167813431
dimethyl 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3,4-dicarboxylate
CID 167973590

Frequently Asked Questions

What is the IUPAC name of 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 138022712) is 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCc1c[nH]c2ncnc(N3CCn4c(nnc4-c4ccccc4)C3)c12.
What is the InChIKey of 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SJLCZZMNFVPADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-2-13-10-20-17-16(13)19(22-12-21-17)25-8-9-26-15(11-25)23-24-18(26)14-6-4-3-5-7-14/h3-7,10,12H,2,8-9,11H2,1H3,(H,20,21,22).
What are the key properties of 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 345.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 138022712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).