5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine

C13H16N4 — CID 105485940

IUPAC5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine
SMILESCc1cccc(-n2nnc(N)c2C2CCC2)c1
InChIInChI=1S/C13H16N4/c1-9-4-2-7-11(8-9)17-12(10-5-3-6-10)13(14)15-16-17/h2,4,7-8,10H,3,5-6,14H2,1H3
InChIKeyFDDVSNKXKRDTAD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.43
Rot. Bonds2

About 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine

5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine (PubChem CID 105485940) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine
PubChem CID105485940
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine
SMILESCc1cccc(-n2nnc(N)c2C2CCC2)c1
InChIInChI=1S/C13H16N4/c1-9-4-2-7-11(8-9)17-12(10-5-3-6-10)13(14)15-16-17/h2,4,7-8,10H,3,5-6,14H2,1H3
InChIKeyFDDVSNKXKRDTAD-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-fluorophenyl)-5-cyclopropyltriazol-4-amine
CID 79507659
1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine
CID 79501505
[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197956
1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
CID 117210663
5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
1-(3-methylphenyl)-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82201222
1-(4-bromo-3-nitrophenyl)-5-cyclopropyltriazol-4-amine
CID 79768021
3-(chloromethyl)-5-cyclobutyl-4-(3-methylphenyl)-1,2,4-triazole
CID 83968139
N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442486
[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine
CID 82199564
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine?
The IUPAC name of 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine (CID 105485940) is 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine.
What is the SMILES notation for 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine?
The canonical SMILES for 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine is Cc1cccc(-n2nnc(N)c2C2CCC2)c1.
What is the InChIKey of 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine?
The InChIKey is FDDVSNKXKRDTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-4-2-7-11(8-9)17-12(10-5-3-6-10)13(14)15-16-17/h2,4,7-8,10H,3,5-6,14H2,1H3.
What are the key properties of 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine?
5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine is sourced from PubChem (CID 105485940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).