[2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol

C9H15N3O2 — CID 130609959

IUPAC[2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol
SMILESCn1ncc(CC2(CO)CCCO2)n1
InChIInChI=1S/C9H15N3O2/c1-12-10-6-8(11-12)5-9(7-13)3-2-4-14-9/h6,13H,2-5,7H2,1H3
InChIKeyUXAITPWXBXKLLW-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.10
Rot. Bonds3

About [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol

[2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol (PubChem CID 130609959) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol
PubChem CID130609959
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol
SMILESCn1ncc(CC2(CO)CCCO2)n1
InChIInChI=1S/C9H15N3O2/c1-12-10-6-8(11-12)5-9(7-13)3-2-4-14-9/h6,13H,2-5,7H2,1H3
InChIKeyUXAITPWXBXKLLW-UHFFFAOYSA-N
XLogP-0.10
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol?
The IUPAC name of [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol (CID 130609959) is [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol.
What is the SMILES notation for [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol?
The canonical SMILES for [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol is Cn1ncc(CC2(CO)CCCO2)n1.
What is the InChIKey of [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol?
The InChIKey is UXAITPWXBXKLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-10-6-8(11-12)5-9(7-13)3-2-4-14-9/h6,13H,2-5,7H2,1H3.
What are the key properties of [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol?
[2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol has a molecular weight of 197.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyltriazol-4-yl)methyl]oxolan-2-yl]methanol is sourced from PubChem (CID 130609959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).