2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine

C15H20N4 — CID 61337767

IUPAC2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2n[nH]c(C3CCCC3)n2)cc1
InChIInChI=1S/C15H20N4/c16-10-9-11-5-7-13(8-6-11)15-17-14(18-19-15)12-3-1-2-4-12/h5-8,12H,1-4,9-10,16H2,(H,17,18,19)
InChIKeyMHVUYLBUMBRRPP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine

2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine (PubChem CID 61337767) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
PubChem CID61337767
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2n[nH]c(C3CCCC3)n2)cc1
InChIInChI=1S/C15H20N4/c16-10-9-11-5-7-13(8-6-11)15-17-14(18-19-15)12-3-1-2-4-12/h5-8,12H,1-4,9-10,16H2,(H,17,18,19)
InChIKeyMHVUYLBUMBRRPP-UHFFFAOYSA-N
XLogP2.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine (CID 61337767) is 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine is NCCc1ccc(-c2n[nH]c(C3CCCC3)n2)cc1.
What is the InChIKey of 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine?
The InChIKey is MHVUYLBUMBRRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-10-9-11-5-7-13(8-6-11)15-17-14(18-19-15)12-3-1-2-4-12/h5-8,12H,1-4,9-10,16H2,(H,17,18,19).
What are the key properties of 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine?
2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 61337767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).