N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine

C14H20N4 — CID 114687204

IUPACN-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
SMILESCCCC(NCC)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-3-8-13(15-4-2)14-11-16-17-18(14)12-9-6-5-7-10-12/h5-7,9-11,13,15H,3-4,8H2,1-2H3
InChIKeyOTQBAWQVXRVZRR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.72
Rot. Bonds6

About N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine

N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine (PubChem CID 114687204) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
PubChem CID114687204
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
SMILESCCCC(NCC)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-3-8-13(15-4-2)14-11-16-17-18(14)12-9-6-5-7-10-12/h5-7,9-11,13,15H,3-4,8H2,1-2H3
InChIKeyOTQBAWQVXRVZRR-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
CID 105184380
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
1-(3-phenyltriazol-4-yl)heptylhydrazine
CID 105337463
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 106858669
N-[(5-bromofuran-2-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043281
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105184404
2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043321

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine (CID 114687204) is N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine is CCCC(NCC)c1cnnn1-c1ccccc1.
What is the InChIKey of N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine?
The InChIKey is OTQBAWQVXRVZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-8-13(15-4-2)14-11-16-17-18(14)12-9-6-5-7-10-12/h5-7,9-11,13,15H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine?
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 114687204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).