2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

C15H20N4 — CID 82764014

IUPAC2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCc1nnc(C2(C)CCCC2N)n1-c1ccccc1
InChIInChI=1S/C15H20N4/c1-11-17-18-14(15(2)10-6-9-13(15)16)19(11)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10,16H2,1-2H3
InChIKeyOMFQTOZFKCLGPZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds2

About 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 82764014) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID82764014
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCc1nnc(C2(C)CCCC2N)n1-c1ccccc1
InChIInChI=1S/C15H20N4/c1-11-17-18-14(15(2)10-6-9-13(15)16)19(11)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10,16H2,1-2H3
InChIKeyOMFQTOZFKCLGPZ-UHFFFAOYSA-N
XLogP2.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 82764014) is 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is Cc1nnc(C2(C)CCCC2N)n1-c1ccccc1.
What is the InChIKey of 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is OMFQTOZFKCLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-17-18-14(15(2)10-6-9-13(15)16)19(11)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10,16H2,1-2H3.
What are the key properties of 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 82764014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).