4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole

C10H17N3O2 — CID 58560740

IUPAC4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole
SMILESCCC1OC(C)(C)O[C@@H]1Cc1cn[nH]n1
InChIInChI=1S/C10H17N3O2/c1-4-8-9(15-10(2,3)14-8)5-7-6-11-13-12-7/h6,8-9H,4-5H2,1-3H3,(H,11,12,13)/t8?,9-/m1/s1
InChIKeyZNGCTJWEWGFNMW-YGPZHTELSA-N
MW211.26 g/mol
LogP1.28
Rot. Bonds3

About 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole

4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole (PubChem CID 58560740) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole.

Molecular Properties

Compound Name4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole
PubChem CID58560740
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole
SMILESCCC1OC(C)(C)O[C@@H]1Cc1cn[nH]n1
InChIInChI=1S/C10H17N3O2/c1-4-8-9(15-10(2,3)14-8)5-7-6-11-13-12-7/h6,8-9H,4-5H2,1-3H3,(H,11,12,13)/t8?,9-/m1/s1
InChIKeyZNGCTJWEWGFNMW-YGPZHTELSA-N
XLogP1.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole?
The IUPAC name of 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole (CID 58560740) is 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole.
What is the SMILES notation for 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole?
The canonical SMILES for 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole is CCC1OC(C)(C)O[C@@H]1Cc1cn[nH]n1.
What is the InChIKey of 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole?
The InChIKey is ZNGCTJWEWGFNMW-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-8-9(15-10(2,3)14-8)5-7-6-11-13-12-7/h6,8-9H,4-5H2,1-3H3,(H,11,12,13)/t8?,9-/m1/s1.
What are the key properties of 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole?
4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole has a molecular weight of 211.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole is sourced from PubChem (CID 58560740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).