8-cyclopropyl-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

C18H24N8 — CID 165415118

IUPAC8-cyclopropyl-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
SMILESCc1ncc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C18H24N8/c1-12-19-11-14(13-5-6-13)17-20-15(22-26(12)17)7-8-16-21-18(23-24(16)2)25-9-3-4-10-25/h11,13H,3-10H2,1-2H3
InChIKeyUQENRBZJQYSWKJ-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.82
Rot. Bonds5

About 8-cyclopropyl-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

8-cyclopropyl-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 165415118) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 8-cyclopropyl-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 Name8-cyclopropyl-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 CID165415118
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC Name8-cyclopropyl-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
SMILESCc1ncc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C18H24N8/c1-12-19-11-14(13-5-6-13)17-20-15(22-26(12)17)7-8-16-21-18(23-24(16)2)25-9-3-4-10-25/h11,13H,3-10H2,1-2H3
InChIKeyUQENRBZJQYSWKJ-UHFFFAOYSA-N
XLogP1.82
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-cyclopropyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-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 8-cyclopropyl-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 165415118) is 8-cyclopropyl-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 8-cyclopropyl-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 8-cyclopropyl-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 Cc1ncc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 8-cyclopropyl-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 UQENRBZJQYSWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-12-19-11-14(13-5-6-13)17-20-15(22-26(12)17)7-8-16-21-18(23-24(16)2)25-9-3-4-10-25/h11,13H,3-10H2,1-2H3.
What are the key properties of 8-cyclopropyl-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?
8-cyclopropyl-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 352.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-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 165415118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).