[5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol

C19H27N3O — CID 94939880

IUPAC[5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol
SMILESCCCCC1CCC(c2c(CO)nnn2-c2ccccc2)CC1
InChIInChI=1S/C19H27N3O/c1-2-3-7-15-10-12-16(13-11-15)19-18(14-23)20-21-22(19)17-8-5-4-6-9-17/h4-6,8-9,15-16,23H,2-3,7,10-14H2,1H3
InChIKeyWUNGLEVHPQHSCO-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.22
Rot. Bonds6

About [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol

[5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol (PubChem CID 94939880) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol
PubChem CID94939880
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name[5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol
SMILESCCCCC1CCC(c2c(CO)nnn2-c2ccccc2)CC1
InChIInChI=1S/C19H27N3O/c1-2-3-7-15-10-12-16(13-11-15)19-18(14-23)20-21-22(19)17-8-5-4-6-9-17/h4-6,8-9,15-16,23H,2-3,7,10-14H2,1H3
InChIKeyWUNGLEVHPQHSCO-UHFFFAOYSA-N
XLogP4.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol?
The IUPAC name of [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol (CID 94939880) is [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol?
The canonical SMILES for [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol is CCCCC1CCC(c2c(CO)nnn2-c2ccccc2)CC1.
What is the InChIKey of [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol?
The InChIKey is WUNGLEVHPQHSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-3-7-15-10-12-16(13-11-15)19-18(14-23)20-21-22(19)17-8-5-4-6-9-17/h4-6,8-9,15-16,23H,2-3,7,10-14H2,1H3.
What are the key properties of [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol?
[5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol has a molecular weight of 313.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol is sourced from PubChem (CID 94939880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).