3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol

C14H22N4OS — CID 66268740

IUPAC3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCC(C)C(NCc1cn(CCCO)nn1)c1cccs1
InChIInChI=1S/C14H22N4OS/c1-11(2)14(13-5-3-8-20-13)15-9-12-10-18(17-16-12)6-4-7-19/h3,5,8,10-11,14-15,19H,4,6-7,9H2,1-2H3
InChIKeySQCQTUAZSCAXQE-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.21
Rot. Bonds8

About 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268740) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66268740
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCC(C)C(NCc1cn(CCCO)nn1)c1cccs1
InChIInChI=1S/C14H22N4OS/c1-11(2)14(13-5-3-8-20-13)15-9-12-10-18(17-16-12)6-4-7-19/h3,5,8,10-11,14-15,19H,4,6-7,9H2,1-2H3
InChIKeySQCQTUAZSCAXQE-UHFFFAOYSA-N
XLogP2.21
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol (CID 66268740) is 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol is CC(C)C(NCc1cn(CCCO)nn1)c1cccs1.
What is the InChIKey of 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is SQCQTUAZSCAXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-11(2)14(13-5-3-8-20-13)15-9-12-10-18(17-16-12)6-4-7-19/h3,5,8,10-11,14-15,19H,4,6-7,9H2,1-2H3.
What are the key properties of 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 294.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).