2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine

C15H20N4 — CID 63643322

IUPAC2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC1CCCC1NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H20N4/c1-11-6-5-9-13(11)16-10-14-15(18-19-17-14)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyFJUKVSVFBMDYIK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds4

About 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine

2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 63643322) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID63643322
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC1CCCC1NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H20N4/c1-11-6-5-9-13(11)16-10-14-15(18-19-17-14)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyFJUKVSVFBMDYIK-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine (CID 63643322) is 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine is CC1CCCC1NCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is FJUKVSVFBMDYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-6-5-9-13(11)16-10-14-15(18-19-17-14)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H,17,18,19).
What are the key properties of 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 63643322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).