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

C18H21N9O2 — CID 91817124

IUPAC1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(C)n2nc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)nc2n1
InChIInChI=1S/C18H21N9O2/c1-11-6-12(2)27-18(19-11)20-16(22-27)17(29)25-9-14(10-25)26-8-13(21-23-26)7-24-5-3-4-15(24)28/h6,8,14H,3-5,7,9-10H2,1-2H3
InChIKeyNHOBZTATAMPVKW-UHFFFAOYSA-N
MW395.43 g/mol
LogP0.15
Rot. Bonds4

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

1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (PubChem CID 91817124) has the molecular formula C18H21N9O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
PubChem CID91817124
Molecular FormulaC18H21N9O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(C)n2nc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)nc2n1
InChIInChI=1S/C18H21N9O2/c1-11-6-12(2)27-18(19-11)20-16(22-27)17(29)25-9-14(10-25)26-8-13(21-23-26)7-24-5-3-4-15(24)28/h6,8,14H,3-5,7,9-10H2,1-2H3
InChIKeyNHOBZTATAMPVKW-UHFFFAOYSA-N
XLogP0.15
TPSA114.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (CID 91817124) is 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is Cc1cc(C)n2nc(C(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)nc2n1.
What is the InChIKey of 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is NHOBZTATAMPVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O2/c1-11-6-12(2)27-18(19-11)20-16(22-27)17(29)25-9-14(10-25)26-8-13(21-23-26)7-24-5-3-4-15(24)28/h6,8,14H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 395.43 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91817124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).