4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole

C15H25N3O — CID 142750542

IUPAC4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole
SMILESc1c(CC2CCCCC2)nnn1CC1CCCCO1
InChIInChI=1S/C15H25N3O/c1-2-6-13(7-3-1)10-14-11-18(17-16-14)12-15-8-4-5-9-19-15/h11,13,15H,1-10,12H2
InChIKeySTZIGOWUHKFNGG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.97
Rot. Bonds4

About 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole

4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole (PubChem CID 142750542) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole
PubChem CID142750542
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole
SMILESc1c(CC2CCCCC2)nnn1CC1CCCCO1
InChIInChI=1S/C15H25N3O/c1-2-6-13(7-3-1)10-14-11-18(17-16-14)12-15-8-4-5-9-19-15/h11,13,15H,1-10,12H2
InChIKeySTZIGOWUHKFNGG-UHFFFAOYSA-N
XLogP2.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole?
The IUPAC name of 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole (CID 142750542) is 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole.
What is the SMILES notation for 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole?
The canonical SMILES for 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole is c1c(CC2CCCCC2)nnn1CC1CCCCO1.
What is the InChIKey of 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole?
The InChIKey is STZIGOWUHKFNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-6-13(7-3-1)10-14-11-18(17-16-14)12-15-8-4-5-9-19-15/h11,13,15H,1-10,12H2.
What are the key properties of 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole?
4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole has a molecular weight of 263.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1-(oxan-2-ylmethyl)triazole is sourced from PubChem (CID 142750542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).