2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine

C11H14N4O2S — CID 67365175

IUPAC2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine
SMILESCC1(c2ccc(Cn3ncc(N)n3)s2)OCCO1
InChIInChI=1S/C11H14N4O2S/c1-11(16-4-5-17-11)9-3-2-8(18-9)7-15-13-6-10(12)14-15/h2-3,6H,4-5,7H2,1H3,(H2,12,14)
InChIKeyVISSXUUHRIHANK-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.19
Rot. Bonds3

About 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine

2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine (PubChem CID 67365175) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine
PubChem CID67365175
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine
SMILESCC1(c2ccc(Cn3ncc(N)n3)s2)OCCO1
InChIInChI=1S/C11H14N4O2S/c1-11(16-4-5-17-11)9-3-2-8(18-9)7-15-13-6-10(12)14-15/h2-3,6H,4-5,7H2,1H3,(H2,12,14)
InChIKeyVISSXUUHRIHANK-UHFFFAOYSA-N
XLogP1.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine?
The IUPAC name of 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine (CID 67365175) is 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine.
What is the SMILES notation for 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine?
The canonical SMILES for 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine is CC1(c2ccc(Cn3ncc(N)n3)s2)OCCO1.
What is the InChIKey of 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine?
The InChIKey is VISSXUUHRIHANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-11(16-4-5-17-11)9-3-2-8(18-9)7-15-13-6-10(12)14-15/h2-3,6H,4-5,7H2,1H3,(H2,12,14).
What are the key properties of 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine?
2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine has a molecular weight of 266.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]triazol-4-amine is sourced from PubChem (CID 67365175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).