N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine

C15H18N6 — CID 114687811

IUPACN-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2nccnc2c1)c1cnnn1C
InChIInChI=1S/C15H18N6/c1-3-6-18-15(14-10-19-20-21(14)2)11-4-5-12-13(9-11)17-8-7-16-12/h4-5,7-10,15,18H,3,6H2,1-2H3
InChIKeyGGOSFLXHPLXRPG-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.85
Rot. Bonds5

About N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine

N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine (PubChem CID 114687811) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine
PubChem CID114687811
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2nccnc2c1)c1cnnn1C
InChIInChI=1S/C15H18N6/c1-3-6-18-15(14-10-19-20-21(14)2)11-4-5-12-13(9-11)17-8-7-16-12/h4-5,7-10,15,18H,3,6H2,1-2H3
InChIKeyGGOSFLXHPLXRPG-UHFFFAOYSA-N
XLogP1.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105043493
N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 105184613
N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 114687092
N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine
CID 79590361
N-[(3,5-dimethyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689034
N-[(2,4-difluorophenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687635
N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687717
N-[2,3-dihydrofuran-5-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 102651581
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
N-[(3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114687378
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114033825

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine (CID 114687811) is N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine is CCCNC(c1ccc2nccnc2c1)c1cnnn1C.
What is the InChIKey of N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine?
The InChIKey is GGOSFLXHPLXRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-3-6-18-15(14-10-19-20-21(14)2)11-4-5-12-13(9-11)17-8-7-16-12/h4-5,7-10,15,18H,3,6H2,1-2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine?
N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine is sourced from PubChem (CID 114687811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).