5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine

C14H17N5 — CID 112938585

IUPAC5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
SMILESCCCNc1nncc(N2CCc3ccccc32)n1
InChIInChI=1S/C14H17N5/c1-2-8-15-14-17-13(10-16-18-14)19-9-7-11-5-3-4-6-12(11)19/h3-6,10H,2,7-9H2,1H3,(H,15,17,18)
InChIKeySBEKCDIVJLFROU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.39
Rot. Bonds4

About 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine

5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine (PubChem CID 112938585) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
PubChem CID112938585
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
SMILESCCCNc1nncc(N2CCc3ccccc32)n1
InChIInChI=1S/C14H17N5/c1-2-8-15-14-17-13(10-16-18-14)19-9-7-11-5-3-4-6-12(11)19/h3-6,10H,2,7-9H2,1H3,(H,15,17,18)
InChIKeySBEKCDIVJLFROU-UHFFFAOYSA-N
XLogP2.39
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945318
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112962579
5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
CID 112949104
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953804
N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112959267
5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine
CID 112962568
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939492
4-[[5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962656

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine (CID 112938585) is 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine is CCCNc1nncc(N2CCc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine?
The InChIKey is SBEKCDIVJLFROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-8-15-14-17-13(10-16-18-14)19-9-7-11-5-3-4-6-12(11)19/h3-6,10H,2,7-9H2,1H3,(H,15,17,18).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine?
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine has a molecular weight of 255.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112938585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).