[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol

C10H17N3O2 — CID 114535692

IUPAC[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol
SMILESCC1OCCC1(CO)Cc1ncnn1C
InChIInChI=1S/C10H17N3O2/c1-8-10(6-14,3-4-15-8)5-9-11-7-12-13(9)2/h7-8,14H,3-6H2,1-2H3
InChIKeyNEPJWBKNABACTN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.15
Rot. Bonds3

About [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol

[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol (PubChem CID 114535692) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol
PubChem CID114535692
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol
SMILESCC1OCCC1(CO)Cc1ncnn1C
InChIInChI=1S/C10H17N3O2/c1-8-10(6-14,3-4-15-8)5-9-11-7-12-13(9)2/h7-8,14H,3-6H2,1-2H3
InChIKeyNEPJWBKNABACTN-UHFFFAOYSA-N
XLogP0.15
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol (CID 114535692) is [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol is CC1OCCC1(CO)Cc1ncnn1C.
What is the InChIKey of [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol?
The InChIKey is NEPJWBKNABACTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-10(6-14,3-4-15-8)5-9-11-7-12-13(9)2/h7-8,14H,3-6H2,1-2H3.
What are the key properties of [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol?
[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol has a molecular weight of 211.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 114535692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).