2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol

C10H19N5O — CID 39860853

IUPAC2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1NCC1CCCCC1
InChIInChI=1S/C10H19N5O/c16-7-6-15-10(12-13-14-15)11-8-9-4-2-1-3-5-9/h9,16H,1-8H2,(H,11,12,14)
InChIKeyREAXRQOZEIFAFT-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.66
Rot. Bonds5

About 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol

2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol (PubChem CID 39860853) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol
PubChem CID39860853
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1NCC1CCCCC1
InChIInChI=1S/C10H19N5O/c16-7-6-15-10(12-13-14-15)11-8-9-4-2-1-3-5-9/h9,16H,1-8H2,(H,11,12,14)
InChIKeyREAXRQOZEIFAFT-UHFFFAOYSA-N
XLogP0.66
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol (CID 39860853) is 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol is OCCn1nnnc1NCC1CCCCC1.
What is the InChIKey of 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol?
The InChIKey is REAXRQOZEIFAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c16-7-6-15-10(12-13-14-15)11-8-9-4-2-1-3-5-9/h9,16H,1-8H2,(H,11,12,14).
What are the key properties of 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol?
2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol has a molecular weight of 225.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylmethylamino)tetrazol-1-yl]ethanol is sourced from PubChem (CID 39860853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).