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

C15H20N4 — CID 61352389

IUPAC3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C15H20N4/c1-11-6-5-9-15(16,10-11)14-17-13(18-19-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,18,19)
InChIKeyQNYBEKJDYCHCQG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.84
Rot. Bonds2

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

3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine (PubChem CID 61352389) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
PubChem CID61352389
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C15H20N4/c1-11-6-5-9-15(16,10-11)14-17-13(18-19-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,18,19)
InChIKeyQNYBEKJDYCHCQG-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine (CID 61352389) is 3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine is CC1CCCC(N)(c2nc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of 3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
The InChIKey is QNYBEKJDYCHCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-6-5-9-15(16,10-11)14-17-13(18-19-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,18,19).
What are the key properties of 3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 61352389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).