cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine

C15H26N4 — CID 61337578

IUPACcyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESNC(c1n[nH]c(C2CCCCC2)n1)C1CCCCC1
InChIInChI=1S/C15H26N4/c16-13(11-7-3-1-4-8-11)15-17-14(18-19-15)12-9-5-2-6-10-12/h11-13H,1-10,16H2,(H,17,18,19)
InChIKeyONCHAMORGCDIIR-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.43
Rot. Bonds3

About cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine

cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine (PubChem CID 61337578) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
PubChem CID61337578
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Namecyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESNC(c1n[nH]c(C2CCCCC2)n1)C1CCCCC1
InChIInChI=1S/C15H26N4/c16-13(11-7-3-1-4-8-11)15-17-14(18-19-15)12-9-5-2-6-10-12/h11-13H,1-10,16H2,(H,17,18,19)
InChIKeyONCHAMORGCDIIR-UHFFFAOYSA-N
XLogP3.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine (CID 61337578) is cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine is NC(c1n[nH]c(C2CCCCC2)n1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine?
The InChIKey is ONCHAMORGCDIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c16-13(11-7-3-1-4-8-11)15-17-14(18-19-15)12-9-5-2-6-10-12/h11-13H,1-10,16H2,(H,17,18,19).
What are the key properties of cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine?
cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 61337578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).