2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol

C12H23N3O — CID 107057744

IUPAC2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)Cc1cn(C)nn1
InChIInChI=1S/C12H23N3O/c1-4-6-7-12(5-2,10-16)8-11-9-15(3)14-13-11/h9,16H,4-8,10H2,1-3H3
InChIKeyGPPOIWYTPXIFCC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.94
Rot. Bonds7

About 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol

2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol (PubChem CID 107057744) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol
PubChem CID107057744
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)Cc1cn(C)nn1
InChIInChI=1S/C12H23N3O/c1-4-6-7-12(5-2,10-16)8-11-9-15(3)14-13-11/h9,16H,4-8,10H2,1-3H3
InChIKeyGPPOIWYTPXIFCC-UHFFFAOYSA-N
XLogP1.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(Cyclohexylmethyl)triazol-4-yl]propan-1-ol
CID 24789332
3-[1-(12-Iodododecyl)triazol-4-yl]propan-1-ol
CID 122187946
3-[1-(12-Fluorododecyl)triazol-4-yl]propan-1-ol
CID 122187948
Vonifimod
CID 142441856
2-[2-(1-decyl-1H-1,2,3-triazol-4-yl)ethyl]-1,3-dihydroxypropan-2-aminium
CID 167993657
9-[4-(3-Hydroxypropyl)triazol-1-yl]nonyl methanesulfonate
CID 122187942
3-[1-(9-Iodononyl)triazol-4-yl]propan-1-ol
CID 122187945
3-[1-(9-Fluorononyl)triazol-4-yl]propan-1-ol
CID 122187947
[3,3-Difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]methanol
CID 164913783
4-(1-Ethyltriazol-4-yl)butan-1-ol
CID 155005936
cis-(1S,2R)-4,4-bis(hydroxymethyl)-2-(4-pentyltriazol-1-yl)cyclopentan-1-ol
CID 134856440
3-[1-(3-Fluoropropyl)triazol-4-yl]propan-1-ol
CID 104093464

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol?
The IUPAC name of 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol (CID 107057744) is 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol?
The canonical SMILES for 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol is CCCCC(CC)(CO)Cc1cn(C)nn1.
What is the InChIKey of 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol?
The InChIKey is GPPOIWYTPXIFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-7-12(5-2,10-16)8-11-9-15(3)14-13-11/h9,16H,4-8,10H2,1-3H3.
What are the key properties of 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol?
2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]hexan-1-ol is sourced from PubChem (CID 107057744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).