5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C16H20N8 — CID 90018218

IUPAC5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1cnc(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C16H20N8/c1-11-10-17-12(2)24-15(11)18-13(20-24)6-7-14-19-16(21-22(14)3)23-8-4-5-9-23/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyYCMZSNOJOXMYLH-VOTSOKGWSA-N
MW324.39 g/mol
LogP1.64
Rot. Bonds3

About 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine

5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 90018218) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID90018218
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1cnc(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C16H20N8/c1-11-10-17-12(2)24-15(11)18-13(20-24)6-7-14-19-16(21-22(14)3)23-8-4-5-9-23/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyYCMZSNOJOXMYLH-VOTSOKGWSA-N
XLogP1.64
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 90018218) is 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1cnc(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is YCMZSNOJOXMYLH-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H20N8/c1-11-10-17-12(2)24-15(11)18-13(20-24)6-7-14-19-16(21-22(14)3)23-8-4-5-9-23/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+.
What are the key properties of 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 324.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 90018218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).