1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole

C16H25N7O — CID 72906793

IUPAC1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole
SMILESc1nnnn1CCc1nc(C2CCOCC2)nn1C1CCCCC1
InChIInChI=1S/C16H25N7O/c1-2-4-14(5-3-1)23-15(6-9-22-12-17-20-21-22)18-16(19-23)13-7-10-24-11-8-13/h12-14H,1-11H2
InChIKeyYLLVZJSMXNJHQO-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole

1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole (PubChem CID 72906793) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole.

Molecular Properties

Compound Name1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole
PubChem CID72906793
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole
SMILESc1nnnn1CCc1nc(C2CCOCC2)nn1C1CCCCC1
InChIInChI=1S/C16H25N7O/c1-2-4-14(5-3-1)23-15(6-9-22-12-17-20-21-22)18-16(19-23)13-7-10-24-11-8-13/h12-14H,1-11H2
InChIKeyYLLVZJSMXNJHQO-UHFFFAOYSA-N
XLogP1.91
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
The IUPAC name of 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole (CID 72906793) is 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole.
What is the SMILES notation for 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
The canonical SMILES for 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole is c1nnnn1CCc1nc(C2CCOCC2)nn1C1CCCCC1.
What is the InChIKey of 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
The InChIKey is YLLVZJSMXNJHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-2-4-14(5-3-1)23-15(6-9-22-12-17-20-21-22)18-16(19-23)13-7-10-24-11-8-13/h12-14H,1-11H2.
What are the key properties of 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole has a molecular weight of 331.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole is sourced from PubChem (CID 72906793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).