3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine

C15H20N4O — CID 106281880

IUPAC3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NC(C)c3ncn[nH]3)C2)cc1
InChIInChI=1S/C15H20N4O/c1-10(15-16-9-17-19-15)18-13-7-12(8-13)11-3-5-14(20-2)6-4-11/h3-6,9-10,12-13,18H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyDVGUSVZRQYLZCG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.41
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine

3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine (PubChem CID 106281880) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine
PubChem CID106281880
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NC(C)c3ncn[nH]3)C2)cc1
InChIInChI=1S/C15H20N4O/c1-10(15-16-9-17-19-15)18-13-7-12(8-13)11-3-5-14(20-2)6-4-11/h3-6,9-10,12-13,18H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyDVGUSVZRQYLZCG-UHFFFAOYSA-N
XLogP2.41
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 106209304
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281955
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 81395845
N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 62199823
3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471742
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
N-[(2,4-dimethoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886550
1,1-dioxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thian-4-amine
CID 106281595
3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716323
3-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 43692803
3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 107167617
3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 106282338

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine (CID 106281880) is 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine is COc1ccc(C2CC(NC(C)c3ncn[nH]3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine?
The InChIKey is DVGUSVZRQYLZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(15-16-9-17-19-15)18-13-7-12(8-13)11-3-5-14(20-2)6-4-11/h3-6,9-10,12-13,18H,7-8H2,1-2H3,(H,16,17,19).
What are the key properties of 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine?
3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 106281880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).