6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol

C10H19N3O — CID 106802539

IUPAC6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol
SMILESCCC(O)CCCn1nc(C)nc1C
InChIInChI=1S/C10H19N3O/c1-4-10(14)6-5-7-13-9(3)11-8(2)12-13/h10,14H,4-7H2,1-3H3
InChIKeyNANIGHLNYGWBCR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.45
Rot. Bonds5

About 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol

6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol (PubChem CID 106802539) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol
PubChem CID106802539
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol
SMILESCCC(O)CCCn1nc(C)nc1C
InChIInChI=1S/C10H19N3O/c1-4-10(14)6-5-7-13-9(3)11-8(2)12-13/h10,14H,4-7H2,1-3H3
InChIKeyNANIGHLNYGWBCR-UHFFFAOYSA-N
XLogP1.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[5-tert-butyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-3-methylbutan-1-ol
CID 97452955
4-Dimethyl-2-(1h-1,2,4 triazol-1-yl) pentan-3-ol
CID 61773095
5,5,5-Trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79952884
1-(2-Ethyl-1,2,4-triazol-3-yl)-5,5,5-trifluoropentan-2-ol
CID 79952998
5,5,5-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 79953741
5,5,5-Trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79954425
1-(3,5-Dimethyl-1,2,4-triazol-1-yl)-4,4,4-trifluorobutan-2-ol
CID 132381297
(1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol
CID 11834352
4-(3,5-Dimethyl-1,2,4-triazol-4-yl)butanol
CID 19864525
1-(2-Methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 21641162
3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propan-1-ol
CID 46318241
4-(3-Methyl-1,2,4-triazol-1-yl)butan-1-ol
CID 54518153

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol?
The IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol (CID 106802539) is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol.
What is the SMILES notation for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol?
The canonical SMILES for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol is CCC(O)CCCn1nc(C)nc1C.
What is the InChIKey of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol?
The InChIKey is NANIGHLNYGWBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-10(14)6-5-7-13-9(3)11-8(2)12-13/h10,14H,4-7H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol?
6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol has a molecular weight of 197.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexan-3-ol is sourced from PubChem (CID 106802539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).