(2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol

C9H15N3O2 — CID 130920847

IUPAC(2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCC1OCCC1C(O)c1nncn1C
InChIInChI=1S/C9H15N3O2/c1-6-7(3-4-14-6)8(13)9-11-10-5-12(9)2/h5-8,13H,3-4H2,1-2H3
InChIKeyLVAYPAXAFOIQNJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.27
Rot. Bonds2

About (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol

(2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 130920847) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID130920847
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCC1OCCC1C(O)c1nncn1C
InChIInChI=1S/C9H15N3O2/c1-6-7(3-4-14-6)8(13)9-11-10-5-12(9)2/h5-8,13H,3-4H2,1-2H3
InChIKeyLVAYPAXAFOIQNJ-UHFFFAOYSA-N
XLogP0.27
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bicyclo[3.1.0]hexanyl-(4-methyl-1,2,4-triazol-3-yl)methanol
CID 130758262
3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol
CID 115831448
(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 79763149
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanol
CID 102649637
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762979
1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780326
cycloocten-1-yl-(2-methyloxolan-3-yl)methanol
CID 106657618
(2,4-dimethylphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762886
(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol
CID 115828844
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 79762717

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol (CID 130920847) is (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol is CC1OCCC1C(O)c1nncn1C.
What is the InChIKey of (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is LVAYPAXAFOIQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-7(3-4-14-6)8(13)9-11-10-5-12(9)2/h5-8,13H,3-4H2,1-2H3.
What are the key properties of (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol?
(2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 197.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 130920847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).