2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C15H20N8 — CID 72704534

IUPAC2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(N4CCC4)nn3C)nc2n1
InChIInChI=1S/C15H20N8/c1-10-9-11(2)23-14(16-10)17-12(19-23)5-6-13-18-15(20-21(13)3)22-7-4-8-22/h9H,4-8H2,1-3H3
InChIKeyVFIQPKCVWFPEFF-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.86
Rot. Bonds4

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

2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 72704534) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID72704534
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(N4CCC4)nn3C)nc2n1
InChIInChI=1S/C15H20N8/c1-10-9-11(2)23-14(16-10)17-12(19-23)5-6-13-18-15(20-21(13)3)22-7-4-8-22/h9H,4-8H2,1-3H3
InChIKeyVFIQPKCVWFPEFF-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 72704534) is 2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(CCc3nc(N4CCC4)nn3C)nc2n1.
What is the InChIKey of 2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VFIQPKCVWFPEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-10-9-11(2)23-14(16-10)17-12(19-23)5-6-13-18-15(20-21(13)3)22-7-4-8-22/h9H,4-8H2,1-3H3.
What are the key properties of 2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 312.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(azetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 72704534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).