4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol

C19H30N4O — CID 123339748

IUPAC4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol
SMILESCC(C)(CCCO)CC(C)(C)CCn1cc(-c2cccnc2)nn1
InChIInChI=1S/C19H30N4O/c1-18(2,8-6-12-24)15-19(3,4)9-11-23-14-17(21-22-23)16-7-5-10-20-13-16/h5,7,10,13-14,24H,6,8-9,11-12,15H2,1-4H3
InChIKeyZPVFYQDDFWOLMO-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.95
Rot. Bonds9

About 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol

4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol (PubChem CID 123339748) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol
PubChem CID123339748
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol
SMILESCC(C)(CCCO)CC(C)(C)CCn1cc(-c2cccnc2)nn1
InChIInChI=1S/C19H30N4O/c1-18(2,8-6-12-24)15-19(3,4)9-11-23-14-17(21-22-23)16-7-5-10-20-13-16/h5,7,10,13-14,24H,6,8-9,11-12,15H2,1-4H3
InChIKeyZPVFYQDDFWOLMO-UHFFFAOYSA-N
XLogP3.95
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol with MolForge

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Related Compounds

3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
CID 132850274
ethane;3-(1-methyltriazol-4-yl)pyridine
CID 159786313
4-[2-[6-(4-pyridin-3-yltriazol-1-yl)hexoxy]phenyl]benzoic acid
CID 86305814
(3R)-1-hydroxy-3-methyl-3-methylsulfonyl-5-(4-phenyltriazol-1-yl)pentan-2-one
CID 152860620
4-[2-[7-(4-pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzoic acid
CID 86305819
3-[1-[6-(2-phenylphenoxy)hexyl]triazol-4-yl]pyridine
CID 86305870
(2-phenylphenyl) 7-(4-pyridin-3-yltriazol-1-yl)heptanoate
CID 45483914
N-(2-methoxyphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44820065
N-(2-phenylphenyl)sulfanyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-amine
CID 130240790
3-[1-[6-[4-(2-phenylphenyl)triazol-1-yl]hexyl]triazol-4-yl]pyridine;2-phenyl-N-[8-(4-pyridin-3-yltriazol-1-yl)octyl]benzenesulfonamide
CID 160936425
1-(2-phenylphenyl)-4-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]butan-1-one
CID 159230522
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol?
The IUPAC name of 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol (CID 123339748) is 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol.
What is the SMILES notation for 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol?
The canonical SMILES for 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol is CC(C)(CCCO)CC(C)(C)CCn1cc(-c2cccnc2)nn1.
What is the InChIKey of 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol?
The InChIKey is ZPVFYQDDFWOLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-18(2,8-6-12-24)15-19(3,4)9-11-23-14-17(21-22-23)16-7-5-10-20-13-16/h5,7,10,13-14,24H,6,8-9,11-12,15H2,1-4H3.
What are the key properties of 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol?
4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol has a molecular weight of 330.48 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol is sourced from PubChem (CID 123339748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).