[1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

C11H15N3OS — CID 82206895

IUPAC[1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCC(C)n1nnc(CO)c1Cc1cccs1
InChIInChI=1S/C11H15N3OS/c1-8(2)14-11(10(7-15)12-13-14)6-9-4-3-5-16-9/h3-5,8,15H,6-7H2,1-2H3
InChIKeyYSEUMAAOASBYQM-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.00
Rot. Bonds4

About [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

[1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82206895) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82206895
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name[1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCC(C)n1nnc(CO)c1Cc1cccs1
InChIInChI=1S/C11H15N3OS/c1-8(2)14-11(10(7-15)12-13-14)6-9-4-3-5-16-9/h3-5,8,15H,6-7H2,1-2H3
InChIKeyYSEUMAAOASBYQM-UHFFFAOYSA-N
XLogP2.00
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82206895) is [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is CC(C)n1nnc(CO)c1Cc1cccs1.
What is the InChIKey of [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is YSEUMAAOASBYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8(2)14-11(10(7-15)12-13-14)6-9-4-3-5-16-9/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 237.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82206895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).