2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol

C9H15N3O2 — CID 130640510

IUPAC2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol
SMILESCn1nncc1C1(O)CCOC1(C)C
InChIInChI=1S/C9H15N3O2/c1-8(2)9(13,4-5-14-8)7-6-10-11-12(7)3/h6,13H,4-5H2,1-3H3
InChIKeyHDJVOHVQIQLJIZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.20
Rot. Bonds1

About 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol

2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol (PubChem CID 130640510) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol
PubChem CID130640510
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol
SMILESCn1nncc1C1(O)CCOC1(C)C
InChIInChI=1S/C9H15N3O2/c1-8(2)9(13,4-5-14-8)7-6-10-11-12(7)3/h6,13H,4-5H2,1-3H3
InChIKeyHDJVOHVQIQLJIZ-UHFFFAOYSA-N
XLogP0.20
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol?
The IUPAC name of 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol (CID 130640510) is 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol is Cn1nncc1C1(O)CCOC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol?
The InChIKey is HDJVOHVQIQLJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-8(2)9(13,4-5-14-8)7-6-10-11-12(7)3/h6,13H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol?
2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol has a molecular weight of 197.24 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol is sourced from PubChem (CID 130640510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).