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

C15H18N8 — CID 72702891

IUPAC2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1cnc(C)n2nc(/C=C/c3nc(N4CCC4)nn3C)nc12
InChIInChI=1S/C15H18N8/c1-10-9-16-11(2)23-14(10)17-12(19-23)5-6-13-18-15(20-21(13)3)22-7-4-8-22/h5-6,9H,4,7-8H2,1-3H3/b6-5+
InChIKeyHGYPAMXYFRCJJD-AATRIKPKSA-N
MW310.37 g/mol
LogP1.25
Rot. Bonds3

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

2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 72702891) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID72702891
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1cnc(C)n2nc(/C=C/c3nc(N4CCC4)nn3C)nc12
InChIInChI=1S/C15H18N8/c1-10-9-16-11(2)23-14(10)17-12(19-23)5-6-13-18-15(20-21(13)3)22-7-4-8-22/h5-6,9H,4,7-8H2,1-3H3/b6-5+
InChIKeyHGYPAMXYFRCJJD-AATRIKPKSA-N
XLogP1.25
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 72702891) is 2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1cnc(C)n2nc(/C=C/c3nc(N4CCC4)nn3C)nc12.
What is the InChIKey of 2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is HGYPAMXYFRCJJD-AATRIKPKSA-N. The full InChI is InChI=1S/C15H18N8/c1-10-9-16-11(2)23-14(10)17-12(19-23)5-6-13-18-15(20-21(13)3)22-7-4-8-22/h5-6,9H,4,7-8H2,1-3H3/b6-5+.
What are the key properties of 2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine?
2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 310.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethenyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 72702891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).