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

C18H23N5 — CID 112959267

IUPACN-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
SMILESc1ccc2c(c1)CCN2c1cnnc(NC2CCCCCC2)n1
InChIInChI=1S/C18H23N5/c1-2-4-9-15(8-3-1)20-18-21-17(13-19-22-18)23-12-11-14-7-5-6-10-16(14)23/h5-7,10,13,15H,1-4,8-9,11-12H2,(H,20,21,22)
InChIKeyQIJFANRUYSHXQI-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.70
Rot. Bonds3

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

N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112959267) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
PubChem CID112959267
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
SMILESc1ccc2c(c1)CCN2c1cnnc(NC2CCCCCC2)n1
InChIInChI=1S/C18H23N5/c1-2-4-9-15(8-3-1)20-18-21-17(13-19-22-18)23-12-11-14-7-5-6-10-16(14)23/h5-7,10,13,15H,1-4,8-9,11-12H2,(H,20,21,22)
InChIKeyQIJFANRUYSHXQI-UHFFFAOYSA-N
XLogP3.70
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112941703
N-cycloheptyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112924966
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956946
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
5-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-3-amine
CID 112949104
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-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine
CID 112962568
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 N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine (CID 112959267) is N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine is c1ccc2c(c1)CCN2c1cnnc(NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is QIJFANRUYSHXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-4-9-15(8-3-1)20-18-21-17(13-19-22-18)23-12-11-14-7-5-6-10-16(14)23/h5-7,10,13,15H,1-4,8-9,11-12H2,(H,20,21,22).
What are the key properties of N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine?
N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 309.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112959267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).