6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine

C14H16N6 — CID 62118261

IUPAC6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine
SMILESCC(Nc1ccc2ncccc2c1N)c1nncn1C
InChIInChI=1S/C14H16N6/c1-9(14-19-17-8-20(14)2)18-12-6-5-11-10(13(12)15)4-3-7-16-11/h3-9,18H,15H2,1-2H3
InChIKeyAGDRYJWPJLYRPS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.12
Rot. Bonds3

About 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine

6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine (PubChem CID 62118261) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine
PubChem CID62118261
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine
SMILESCC(Nc1ccc2ncccc2c1N)c1nncn1C
InChIInChI=1S/C14H16N6/c1-9(14-19-17-8-20(14)2)18-12-6-5-11-10(13(12)15)4-3-7-16-11/h3-9,18H,15H2,1-2H3
InChIKeyAGDRYJWPJLYRPS-UHFFFAOYSA-N
XLogP2.12
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-diamine
CID 55037646
3-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 62733798
6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
CID 63928132
4-bromo-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diamine
CID 65342783
1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 62118811
6-N-heptan-2-ylquinoline-5,6-diamine
CID 61464313
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 62118630
1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700669
6-N-(1-phenylpropyl)quinoline-5,6-diamine
CID 62305552
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
CID 62105463
6-N-ethylquinoline-5,6-diamine
CID 43809532
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoxalin-2-amine
CID 164640206

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine?
The IUPAC name of 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine (CID 62118261) is 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine.
What is the SMILES notation for 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine?
The canonical SMILES for 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine is CC(Nc1ccc2ncccc2c1N)c1nncn1C.
What is the InChIKey of 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine?
The InChIKey is AGDRYJWPJLYRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9(14-19-17-8-20(14)2)18-12-6-5-11-10(13(12)15)4-3-7-16-11/h3-9,18H,15H2,1-2H3.
What are the key properties of 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine?
6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-5,6-diamine is sourced from PubChem (CID 62118261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).