1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol

C13H16N4O — CID 90643451

IUPAC1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol
SMILESOC1(c2cn(-c3ccncc3)nn2)CCCCC1
InChIInChI=1S/C13H16N4O/c18-13(6-2-1-3-7-13)12-10-17(16-15-12)11-4-8-14-9-5-11/h4-5,8-10,18H,1-3,6-7H2
InChIKeyQHQGOGUQFVLHKI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.81
Rot. Bonds2

About 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol

1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol (PubChem CID 90643451) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol
PubChem CID90643451
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol
SMILESOC1(c2cn(-c3ccncc3)nn2)CCCCC1
InChIInChI=1S/C13H16N4O/c18-13(6-2-1-3-7-13)12-10-17(16-15-12)11-4-8-14-9-5-11/h4-5,8-10,18H,1-3,6-7H2
InChIKeyQHQGOGUQFVLHKI-UHFFFAOYSA-N
XLogP1.81
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol (CID 90643451) is 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol is OC1(c2cn(-c3ccncc3)nn2)CCCCC1.
What is the InChIKey of 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol?
The InChIKey is QHQGOGUQFVLHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13(6-2-1-3-7-13)12-10-17(16-15-12)11-4-8-14-9-5-11/h4-5,8-10,18H,1-3,6-7H2.
What are the key properties of 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol?
1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol has a molecular weight of 244.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-4-yltriazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 90643451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).