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

C16H21N5 — CID 112939966

IUPACN-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCCNc1cnnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C16H21N5/c1-2-3-10-17-15-12-18-20-16(19-15)21-11-6-8-13-7-4-5-9-14(13)21/h4-5,7,9,12H,2-3,6,8,10-11H2,1H3,(H,17,19,20)
InChIKeyCWOULUVHWXOLPV-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.17
Rot. Bonds5

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

N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112939966) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112939966
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine
SMILESCCCCNc1cnnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C16H21N5/c1-2-3-10-17-15-12-18-20-16(19-15)21-11-6-8-13-7-4-5-9-14(13)21/h4-5,7,9,12H,2-3,6,8,10-11H2,1H3,(H,17,19,20)
InChIKeyCWOULUVHWXOLPV-UHFFFAOYSA-N
XLogP3.17
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazin-5-amine
CID 112954146
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962856
3-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethyl-1,2,4-triazin-5-amine
CID 112958207
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-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-5-amine
CID 112962943
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
N-cyclopentyl-3-(2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112941511
3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948938
3-(2,3-dihydroindol-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962664
N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine
CID 112960153

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine (CID 112939966) is N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine is CCCCNc1cnnc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is CWOULUVHWXOLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-3-10-17-15-12-18-20-16(19-15)21-11-6-8-13-7-4-5-9-14(13)21/h4-5,7,9,12H,2-3,6,8,10-11H2,1H3,(H,17,19,20).
What are the key properties of N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine?
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 283.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112939966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).