3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C19H21N5O — CID 91785873

IUPAC3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESNC1CC(c2nnc(COc3cccc4cccnc34)n2C2CC2)C1
InChIInChI=1S/C19H21N5O/c20-14-9-13(10-14)19-23-22-17(24(19)15-6-7-15)11-25-16-5-1-3-12-4-2-8-21-18(12)16/h1-5,8,13-15H,6-7,9-11,20H2
InChIKeyPTXDAUXOAYXHBC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.94
Rot. Bonds5

About 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91785873) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91785873
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESNC1CC(c2nnc(COc3cccc4cccnc34)n2C2CC2)C1
InChIInChI=1S/C19H21N5O/c20-14-9-13(10-14)19-23-22-17(24(19)15-6-7-15)11-25-16-5-1-3-12-4-2-8-21-18(12)16/h1-5,8,13-15H,6-7,9-11,20H2
InChIKeyPTXDAUXOAYXHBC-UHFFFAOYSA-N
XLogP2.94
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Related Compounds

[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 75476680
8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline
CID 42021119
8-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinoline
CID 141148841
3-(quinolin-8-yloxymethyl)pyridine-2-carbothioamide
CID 62895650
3-[5-[[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91762924
4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198
[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methanamine
CID 106908172
[2-(quinolin-8-yloxymethyl)phenyl]methanamine
CID 28824796
8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride
CID 46735640
2-quinolin-8-yloxyethanamine
CID 17174906
2-quinolin-8-yloxyethylhydrazine
CID 82126133
8-(chloromethoxy)quinoline
CID 79531226

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91785873) is 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is NC1CC(c2nnc(COc3cccc4cccnc34)n2C2CC2)C1.
What is the InChIKey of 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is PTXDAUXOAYXHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-14-9-13(10-14)19-23-22-17(24(19)15-6-7-15)11-25-16-5-1-3-12-4-2-8-21-18(12)16/h1-5,8,13-15H,6-7,9-11,20H2.
What are the key properties of 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 335.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91785873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).