2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H22N8 — CID 72704320

IUPAC2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCn1nc(N2CCCC2)nc1/C=C/c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C17H22N8/c1-4-24-15(20-17(22-24)23-9-5-6-10-23)8-7-14-19-16-18-12(2)11-13(3)25(16)21-14/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
InChIKeySORCAMPMGWCYHG-BQYQJAHWSA-N
MW338.42 g/mol
LogP2.12
Rot. Bonds4

About 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 72704320) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID72704320
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCn1nc(N2CCCC2)nc1/C=C/c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C17H22N8/c1-4-24-15(20-17(22-24)23-9-5-6-10-23)8-7-14-19-16-18-12(2)11-13(3)25(16)21-14/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
InChIKeySORCAMPMGWCYHG-BQYQJAHWSA-N
XLogP2.12
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 72704320) is 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCn1nc(N2CCCC2)nc1/C=C/c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SORCAMPMGWCYHG-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H22N8/c1-4-24-15(20-17(22-24)23-9-5-6-10-23)8-7-14-19-16-18-12(2)11-13(3)25(16)21-14/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+.
What are the key properties of 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 338.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 72704320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).