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

C11H20N4 — CID 63044245

IUPAC3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCCCc1nc(C2CCCC(N)C2)n[nH]1
InChIInChI=1S/C11H20N4/c1-2-4-10-13-11(15-14-10)8-5-3-6-9(12)7-8/h8-9H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyXXRZLLXLPJOLGY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.74
Rot. Bonds3

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

3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 63044245) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID63044245
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCCCc1nc(C2CCCC(N)C2)n[nH]1
InChIInChI=1S/C11H20N4/c1-2-4-10-13-11(15-14-10)8-5-3-6-9(12)7-8/h8-9H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyXXRZLLXLPJOLGY-UHFFFAOYSA-N
XLogP1.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 63044245) is 3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine is CCCc1nc(C2CCCC(N)C2)n[nH]1.
What is the InChIKey of 3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is XXRZLLXLPJOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-4-10-13-11(15-14-10)8-5-3-6-9(12)7-8/h8-9H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of 3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 63044245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).