4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine

C16H19N5O — CID 112944196

IUPAC4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine
SMILESCC1Cc2ccccc2N1c1nncc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O/c1-12-10-13-4-2-3-5-14(13)21(12)16-18-15(11-17-19-16)20-6-8-22-9-7-20/h2-5,11-12H,6-10H2,1H3
InChIKeyQLHJZFJKEQARDG-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.79
Rot. Bonds2

About 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine

4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine (PubChem CID 112944196) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine
PubChem CID112944196
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine
SMILESCC1Cc2ccccc2N1c1nncc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O/c1-12-10-13-4-2-3-5-14(13)21(12)16-18-15(11-17-19-16)20-6-8-22-9-7-20/h2-5,11-12H,6-10H2,1H3
InChIKeyQLHJZFJKEQARDG-UHFFFAOYSA-N
XLogP1.79
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]morpholine
CID 112886644
4-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]morpholine
CID 30298653
8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112897459
2-methyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112898809
N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112941020
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine
CID 112968929
N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966744
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-5-amine
CID 112969041
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112899050
2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112923882
N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112969508
N-[(2-methoxyphenyl)methyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112950861

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine?
The IUPAC name of 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine (CID 112944196) is 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine.
What is the SMILES notation for 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine?
The canonical SMILES for 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine is CC1Cc2ccccc2N1c1nncc(N2CCOCC2)n1.
What is the InChIKey of 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine?
The InChIKey is QLHJZFJKEQARDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-10-13-4-2-3-5-14(13)21(12)16-18-15(11-17-19-16)20-6-8-22-9-7-20/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine?
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine has a molecular weight of 297.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine is sourced from PubChem (CID 112944196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).