5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C14H12ClN5 — CID 102918247

IUPAC5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1Cc2ccccc2N1c1cc(Cl)nc2ncnn12
InChIInChI=1S/C14H12ClN5/c1-9-6-10-4-2-3-5-11(10)19(9)13-7-12(15)18-14-16-8-17-20(13)14/h2-5,7-9H,6H2,1H3
InChIKeyRTJOCAUCIVCVDO-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.86
Rot. Bonds1

About 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102918247) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102918247
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1Cc2ccccc2N1c1cc(Cl)nc2ncnn12
InChIInChI=1S/C14H12ClN5/c1-9-6-10-4-2-3-5-11(10)19(9)13-7-12(15)18-14-16-8-17-20(13)14/h2-5,7-9H,6H2,1H3
InChIKeyRTJOCAUCIVCVDO-UHFFFAOYSA-N
XLogP2.86
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80943520
2-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102918993
1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 79075954
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole
CID 81037118
7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137
1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole
CID 61254888
5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919256

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102918247) is 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CC1Cc2ccccc2N1c1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RTJOCAUCIVCVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-9-6-10-4-2-3-5-11(10)19(9)13-7-12(15)18-14-16-8-17-20(13)14/h2-5,7-9H,6H2,1H3.
What are the key properties of 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 285.74 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102918247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).