3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine

C13H20N4O — CID 105184733

IUPAC3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)c1cnnn1C
InChIInChI=1S/C13H20N4O/c1-3-8-14-12(13-10-15-16-17(13)2)7-6-11-5-4-9-18-11/h4-5,9-10,12,14H,3,6-8H2,1-2H3
InChIKeyAXXQEURXHISCNM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.08
Rot. Bonds7

About 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine

3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine (PubChem CID 105184733) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
PubChem CID105184733
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)c1cnnn1C
InChIInChI=1S/C13H20N4O/c1-3-8-14-12(13-10-15-16-17(13)2)7-6-11-5-4-9-18-11/h4-5,9-10,12,14H,3,6-8H2,1-2H3
InChIKeyAXXQEURXHISCNM-UHFFFAOYSA-N
XLogP2.08
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
CID 114688885
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105097322
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146576
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687476
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
CID 105170638
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
[3-(furan-2-yl)-1-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 105307383

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine (CID 105184733) is 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1ccco1)c1cnnn1C.
What is the InChIKey of 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is AXXQEURXHISCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-8-14-12(13-10-15-16-17(13)2)7-6-11-5-4-9-18-11/h4-5,9-10,12,14H,3,6-8H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine?
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105184733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).