N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine

C17H21N5 — CID 112941703

IUPACN-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
SMILESc1ccc2c(c1)CCCN2c1cnnc(NC2CCCC2)n1
InChIInChI=1S/C17H21N5/c1-4-10-15-13(6-1)7-5-11-22(15)16-12-18-21-17(20-16)19-14-8-2-3-9-14/h1,4,6,10,12,14H,2-3,5,7-9,11H2,(H,19,20,21)
InChIKeyFOQMVNIPBNUJBL-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.31
Rot. Bonds3

About N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine

N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112941703) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112941703
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
SMILESc1ccc2c(c1)CCCN2c1cnnc(NC2CCCC2)n1
InChIInChI=1S/C17H21N5/c1-4-10-15-13(6-1)7-5-11-22(15)16-12-18-21-17(20-16)19-14-8-2-3-9-14/h1,4,6,10,12,14H,2-3,5,7-9,11H2,(H,19,20,21)
InChIKeyFOQMVNIPBNUJBL-UHFFFAOYSA-N
XLogP3.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112959267
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956946
N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962778
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
N-cycloheptyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112924966
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953804
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
N-(2-bromo-4-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962826
N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962828
N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine (CID 112941703) is N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine is c1ccc2c(c1)CCCN2c1cnnc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is FOQMVNIPBNUJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-4-10-15-13(6-1)7-5-11-22(15)16-12-18-21-17(20-16)19-14-8-2-3-9-14/h1,4,6,10,12,14H,2-3,5,7-9,11H2,(H,19,20,21).
What are the key properties of N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine?
N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 295.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).