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

C17H23N5 — CID 112960153

IUPACN-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine
SMILESCCCCN(C)c1nncc(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H23N5/c1-3-4-11-21(2)17-19-16(13-18-20-17)22-12-7-9-14-8-5-6-10-15(14)22/h5-6,8,10,13H,3-4,7,9,11-12H2,1-2H3
InChIKeyGRYKAPCQOMTEDW-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.19
Rot. Bonds5

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

N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine (PubChem CID 112960153) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine
PubChem CID112960153
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine
SMILESCCCCN(C)c1nncc(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H23N5/c1-3-4-11-21(2)17-19-16(13-18-20-17)22-12-7-9-14-8-5-6-10-15(14)22/h5-6,8,10,13H,3-4,7,9,11-12H2,1-2H3
InChIKeyGRYKAPCQOMTEDW-UHFFFAOYSA-N
XLogP3.19
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine
CID 112900683
N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112876355
N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941878
N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945834
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine
CID 112955228
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
CID 112939966
N-butyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112900573
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585
3-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethyl-1,2,4-triazin-5-amine
CID 112958207
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962832
N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112941703

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine?
The IUPAC name of N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine (CID 112960153) is N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine is CCCCN(C)c1nncc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine?
The InChIKey is GRYKAPCQOMTEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-4-11-21(2)17-19-16(13-18-20-17)22-12-7-9-14-8-5-6-10-15(14)22/h5-6,8,10,13H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine?
N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine has a molecular weight of 297.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112960153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).