5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C15H20N8 — CID 165415181

IUPAC5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nccc2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C15H20N8/c1-11-16-8-7-14-17-12(19-23(11)14)5-6-13-18-15(20-21(13)2)22-9-3-4-10-22/h7-8H,3-6,9-10H2,1-2H3
InChIKeyGMOUTZYPAHJCCL-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.95
Rot. Bonds4

About 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 165415181) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID165415181
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nccc2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C15H20N8/c1-11-16-8-7-14-17-12(19-23(11)14)5-6-13-18-15(20-21(13)2)22-9-3-4-10-22/h7-8H,3-6,9-10H2,1-2H3
InChIKeyGMOUTZYPAHJCCL-UHFFFAOYSA-N
XLogP0.95
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 165415181) is 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nccc2nc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is GMOUTZYPAHJCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-11-16-8-7-14-17-12(19-23(11)14)5-6-13-18-15(20-21(13)2)22-9-3-4-10-22/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 312.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 165415181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).