(R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol

C10H15N3O — CID 124527924

IUPAC(R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol
SMILESCc1nc([C@H](O)[C@H]2CC=CCC2)n[nH]1
InChIInChI=1S/C10H15N3O/c1-7-11-10(13-12-7)9(14)8-5-3-2-4-6-8/h2-3,8-9,14H,4-6H2,1H3,(H,11,12,13)/t8-,9+/m0/s1
InChIKeyPZSKNRGOJRKXFP-DTWKUNHWSA-N
MW193.25 g/mol
LogP1.50
Rot. Bonds2

About (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol

(R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol (PubChem CID 124527924) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol
PubChem CID124527924
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol
SMILESCc1nc([C@H](O)[C@H]2CC=CCC2)n[nH]1
InChIInChI=1S/C10H15N3O/c1-7-11-10(13-12-7)9(14)8-5-3-2-4-6-8/h2-3,8-9,14H,4-6H2,1H3,(H,11,12,13)/t8-,9+/m0/s1
InChIKeyPZSKNRGOJRKXFP-DTWKUNHWSA-N
XLogP1.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
cyclohex-3-en-1-yl-(5-methylthiophen-3-yl)methanol
CID 65100027
cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol
CID 104514583
cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723714
(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol
CID 114635530
cyclohex-3-en-1-yl(pyridin-3-yl)methanol
CID 63899340
1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one
CID 130026688
(1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol
CID 94191697
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131909357
ethyl (2R)-2-cyclohexyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate
CID 95142058
(2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal
CID 129362209
cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol
CID 63900983

Frequently Asked Questions

What is the IUPAC name of (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol (CID 124527924) is (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol is Cc1nc([C@H](O)[C@H]2CC=CCC2)n[nH]1.
What is the InChIKey of (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol?
The InChIKey is PZSKNRGOJRKXFP-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-11-10(13-12-7)9(14)8-5-3-2-4-6-8/h2-3,8-9,14H,4-6H2,1H3,(H,11,12,13)/t8-,9+/m0/s1.
What are the key properties of (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol?
(R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol has a molecular weight of 193.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1R)-cyclohex-3-en-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 124527924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).