[1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol

C16H22N4O — CID 63642101

IUPAC[1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2n[nH]nc2-c2ccccc2)CCCCC1
InChIInChI=1S/C16H22N4O/c21-12-16(9-5-2-6-10-16)17-11-14-15(19-20-18-14)13-7-3-1-4-8-13/h1,3-4,7-8,17,21H,2,5-6,9-12H2,(H,18,19,20)
InChIKeyASYMSWMZTXESRB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds5

About [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol

[1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 63642101) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID63642101
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2n[nH]nc2-c2ccccc2)CCCCC1
InChIInChI=1S/C16H22N4O/c21-12-16(9-5-2-6-10-16)17-11-14-15(19-20-18-14)13-7-3-1-4-8-13/h1,3-4,7-8,17,21H,2,5-6,9-12H2,(H,18,19,20)
InChIKeyASYMSWMZTXESRB-UHFFFAOYSA-N
XLogP2.26
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol (CID 63642101) is [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol is OCC1(NCc2n[nH]nc2-c2ccccc2)CCCCC1.
What is the InChIKey of [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is ASYMSWMZTXESRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-12-16(9-5-2-6-10-16)17-11-14-15(19-20-18-14)13-7-3-1-4-8-13/h1,3-4,7-8,17,21H,2,5-6,9-12H2,(H,18,19,20).
What are the key properties of [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol?
[1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 63642101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).