3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine

C15H15N5 — CID 103999459

IUPAC3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(-c3ccc4c(c3)CNC4)n2c(C)n1
InChIInChI=1S/C15H15N5/c1-9-5-14-18-19-15(20(14)10(2)17-9)11-3-4-12-7-16-8-13(12)6-11/h3-6,16H,7-8H2,1-2H3
InChIKeyOACPAFULARUASB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.01
Rot. Bonds1

About 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine

3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 103999459) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID103999459
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc2nnc(-c3ccc4c(c3)CNC4)n2c(C)n1
InChIInChI=1S/C15H15N5/c1-9-5-14-18-19-15(20(14)10(2)17-9)11-3-4-12-7-16-8-13(12)6-11/h3-6,16H,7-8H2,1-2H3
InChIKeyOACPAFULARUASB-UHFFFAOYSA-N
XLogP2.01
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine with MolForge

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Related Compounds

3-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 42631944
3-(2,3-dihydro-1H-isoindol-5-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 103999451
2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5-difluoroaniline
CID 79817684
7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 103293930
4-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-fluoroaniline
CID 107795301
5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79817922
3-(4-bromophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428437
6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
CID 65426667
3-(4-tert-butylphenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428394
7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 104670912
5-phenyl-2,3-dihydro-1H-isoindole
CID 19691969
2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
CID 71302581

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 103999459) is 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cc2nnc(-c3ccc4c(c3)CNC4)n2c(C)n1.
What is the InChIKey of 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is OACPAFULARUASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-9-5-14-18-19-15(20(14)10(2)17-9)11-3-4-12-7-16-8-13(12)6-11/h3-6,16H,7-8H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine?
3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 265.32 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-isoindol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 103999459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).