1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine]

C19H22N6 — CID 154770889

IUPAC1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine]
SMILESCCc1c(C)nc2ncnn2c1N1CCC2(CNc3ccccc32)C1
InChIInChI=1S/C19H22N6/c1-3-14-13(2)23-18-21-12-22-25(18)17(14)24-9-8-19(11-24)10-20-16-7-5-4-6-15(16)19/h4-7,12,20H,3,8-11H2,1-2H3
InChIKeyHCQGIMXABWGKDW-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.57
Rot. Bonds2

About 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine]

1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine] (PubChem CID 154770889) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine].

Molecular Properties

Compound Name1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine]
PubChem CID154770889
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine]
SMILESCCc1c(C)nc2ncnn2c1N1CCC2(CNc3ccccc32)C1
InChIInChI=1S/C19H22N6/c1-3-14-13(2)23-18-21-12-22-25(18)17(14)24-9-8-19(11-24)10-20-16-7-5-4-6-15(16)19/h4-7,12,20H,3,8-11H2,1-2H3
InChIKeyHCQGIMXABWGKDW-UHFFFAOYSA-N
XLogP2.57
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine]?
The IUPAC name of 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine] (CID 154770889) is 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine].
What is the SMILES notation for 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine]?
The canonical SMILES for 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine] is CCc1c(C)nc2ncnn2c1N1CCC2(CNc3ccccc32)C1.
What is the InChIKey of 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine]?
The InChIKey is HCQGIMXABWGKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-3-14-13(2)23-18-21-12-22-25(18)17(14)24-9-8-19(11-24)10-20-16-7-5-4-6-15(16)19/h4-7,12,20H,3,8-11H2,1-2H3.
What are the key properties of 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine]?
1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine] has a molecular weight of 334.43 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindole-3,3'-pyrrolidine] is sourced from PubChem (CID 154770889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).