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

C14H23N5OS — CID 66268157

IUPAC3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
SMILESCN(C)C(CNCc1cn(CCCO)nn1)c1cccs1
InChIInChI=1S/C14H23N5OS/c1-18(2)13(14-5-3-8-21-14)10-15-9-12-11-19(17-16-12)6-4-7-20/h3,5,8,11,13,15,20H,4,6-7,9-10H2,1-2H3
InChIKeyAPMCVORHBZUVDU-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.11
Rot. Bonds9

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

3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268157) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66268157
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
SMILESCN(C)C(CNCc1cn(CCCO)nn1)c1cccs1
InChIInChI=1S/C14H23N5OS/c1-18(2)13(14-5-3-8-21-14)10-15-9-12-11-19(17-16-12)6-4-7-20/h3,5,8,11,13,15,20H,4,6-7,9-10H2,1-2H3
InChIKeyAPMCVORHBZUVDU-UHFFFAOYSA-N
XLogP1.11
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol (CID 66268157) is 3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol is CN(C)C(CNCc1cn(CCCO)nn1)c1cccs1.
What is the InChIKey of 3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is APMCVORHBZUVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-18(2)13(14-5-3-8-21-14)10-15-9-12-11-19(17-16-12)6-4-7-20/h3,5,8,11,13,15,20H,4,6-7,9-10H2,1-2H3.
What are the key properties of 3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 309.44 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).