1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine

C13H16N4 — CID 105485933

IUPAC1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine
SMILESCc1ccccc1-c1c(N)nnn1C1CCC1
InChIInChI=1S/C13H16N4/c1-9-5-2-3-8-11(9)12-13(14)15-16-17(12)10-6-4-7-10/h2-3,5,8,10H,4,6-7,14H2,1H3
InChIKeyULICFOGASWBGGV-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.56
Rot. Bonds2

About 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine

1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine (PubChem CID 105485933) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine
PubChem CID105485933
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine
SMILESCc1ccccc1-c1c(N)nnn1C1CCC1
InChIInChI=1S/C13H16N4/c1-9-5-2-3-8-11(9)12-13(14)15-16-17(12)10-6-4-7-10/h2-3,5,8,10H,4,6-7,14H2,1H3
InChIKeyULICFOGASWBGGV-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine?
The IUPAC name of 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine (CID 105485933) is 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine.
What is the SMILES notation for 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine?
The canonical SMILES for 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine is Cc1ccccc1-c1c(N)nnn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine?
The InChIKey is ULICFOGASWBGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-5-2-3-8-11(9)12-13(14)15-16-17(12)10-6-4-7-10/h2-3,5,8,10H,4,6-7,14H2,1H3.
What are the key properties of 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine?
1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine is sourced from PubChem (CID 105485933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).