[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine

C15H20N4O2 — CID 82199564

IUPAC[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine
SMILESCOc1ccc(-n2nnc(CN)c2C2CCC2)cc1OC
InChIInChI=1S/C15H20N4O2/c1-20-13-7-6-11(8-14(13)21-2)19-15(10-4-3-5-10)12(9-16)17-18-19/h6-8,10H,3-5,9,16H2,1-2H3
InChIKeyYGWPOSASIWBMTE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.01
Rot. Bonds5

About [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine

[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine (PubChem CID 82199564) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine
PubChem CID82199564
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine
SMILESCOc1ccc(-n2nnc(CN)c2C2CCC2)cc1OC
InChIInChI=1S/C15H20N4O2/c1-20-13-7-6-11(8-14(13)21-2)19-15(10-4-3-5-10)12(9-16)17-18-19/h6-8,10H,3-5,9,16H2,1-2H3
InChIKeyYGWPOSASIWBMTE-UHFFFAOYSA-N
XLogP2.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Difluoromethyl)-1-(3,4-dimethoxyphenyl)triazole
CID 16074342
4-[1-(3,4-Dimethoxyphenyl)triazol-4-yl]aniline
CID 11529483
[1-(3,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanamine hydrochloride
CID 122164314
1-[1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methanamine dihydrochloride
CID 155821725
1-(3,4-Dimethoxyphenyl)-4-phenyltriazole
CID 101810371
3-(difluoromethoxy)-4-methoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755427
N-[1-[1-(2-fluoro-5-methoxyphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 80215081
1-[1-(2-Fluoro-5-methoxyphenyl)-5-methyltriazol-4-yl]ethanamine
CID 80219757
1-[1-(2-fluoro-5-methoxyphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 80219834
N-ethyl-1-[1-(2-fluoro-5-methoxyphenyl)-5-methyltriazol-4-yl]ethanamine
CID 80219914
[1-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072209
[1-(3,4-Dimethoxyphenyl)-5-(2-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072746

Frequently Asked Questions

What is the IUPAC name of [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine (CID 82199564) is [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine is COc1ccc(-n2nnc(CN)c2C2CCC2)cc1OC.
What is the InChIKey of [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine?
The InChIKey is YGWPOSASIWBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-13-7-6-11(8-14(13)21-2)19-15(10-4-3-5-10)12(9-16)17-18-19/h6-8,10H,3-5,9,16H2,1-2H3.
What are the key properties of [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine?
[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine has a molecular weight of 288.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82199564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).