N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine

C16H19N5 — CID 105184613

IUPACN-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc2ncccc12)c1cnnn1C
InChIInChI=1S/C16H19N5/c1-3-9-18-16(15-11-19-20-21(15)2)13-6-4-8-14-12(13)7-5-10-17-14/h4-8,10-11,16,18H,3,9H2,1-2H3
InChIKeyIORBKKDEKMLJNU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.45
Rot. Bonds5

About N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine

N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine (PubChem CID 105184613) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
PubChem CID105184613
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc2ncccc12)c1cnnn1C
InChIInChI=1S/C16H19N5/c1-3-9-18-16(15-11-19-20-21(15)2)13-6-4-8-14-12(13)7-5-10-17-14/h4-8,10-11,16,18H,3,9H2,1-2H3
InChIKeyIORBKKDEKMLJNU-UHFFFAOYSA-N
XLogP2.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3-propyltriazol-4-yl)-quinolin-5-ylmethyl]hydrazine
CID 105335484
N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine
CID 114687811
N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687717
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 106858306
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105148549
N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105043493
2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine
CID 105163698
N-[(2,4-difluorophenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687635
N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 114687092
N-[(2-fluoro-6-methoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688697
N-propyl-3-quinolin-5-ylbutan-1-amine
CID 81223447
2-(propylamino)-1-quinolin-5-ylethanol
CID 81221210

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine (CID 105184613) is N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine is CCCNC(c1cccc2ncccc12)c1cnnn1C.
What is the InChIKey of N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine?
The InChIKey is IORBKKDEKMLJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-9-18-16(15-11-19-20-21(15)2)13-6-4-8-14-12(13)7-5-10-17-14/h4-8,10-11,16,18H,3,9H2,1-2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine?
N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 105184613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).