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

C16H19N5 — CID 112941511

IUPACN-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESc1ccc2c(c1)CCN2c1nncc(NC2CCCC2)n1
InChIInChI=1S/C16H19N5/c1-4-8-14-12(5-1)9-10-21(14)16-19-15(11-17-20-16)18-13-6-2-3-7-13/h1,4-5,8,11,13H,2-3,6-7,9-10H2,(H,18,19,20)
InChIKeyYMBOSXNRMSUVGQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.92
Rot. Bonds3

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

N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112941511) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
PubChem CID112941511
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
SMILESc1ccc2c(c1)CCN2c1nncc(NC2CCCC2)n1
InChIInChI=1S/C16H19N5/c1-4-8-14-12(5-1)9-10-21(14)16-19-15(11-17-20-16)18-13-6-2-3-7-13/h1,4-5,8,11,13H,2-3,6-7,9-10H2,(H,18,19,20)
InChIKeyYMBOSXNRMSUVGQ-UHFFFAOYSA-N
XLogP2.92
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-1,2,4-triazin-5-amine
CID 112954857
N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112959267
3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948938
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112924885
N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112941703
N-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112962734
3-(2,3-dihydroindol-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962664
3-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazin-5-amine
CID 112958669
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112962871
3-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazin-5-amine
CID 112962724
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
CID 112939966

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine (CID 112941511) is N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is c1ccc2c(c1)CCN2c1nncc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is YMBOSXNRMSUVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-8-14-12(5-1)9-10-21(14)16-19-15(11-17-20-16)18-13-6-2-3-7-13/h1,4-5,8,11,13H,2-3,6-7,9-10H2,(H,18,19,20).
What are the key properties of N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine?
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 281.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112941511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).