2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol

C10H20N4O — CID 78990642

IUPAC2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nncn1C
InChIInChI=1S/C10H20N4O/c1-3-4-5-14(6-7-15)8-10-12-11-9-13(10)2/h9,15H,3-8H2,1-2H3
InChIKeyLBEHZZUXNLUTNO-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.41
Rot. Bonds7

About 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol

2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol (PubChem CID 78990642) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
PubChem CID78990642
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nncn1C
InChIInChI=1S/C10H20N4O/c1-3-4-5-14(6-7-15)8-10-12-11-9-13(10)2/h9,15H,3-8H2,1-2H3
InChIKeyLBEHZZUXNLUTNO-UHFFFAOYSA-N
XLogP0.41
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol (CID 78990642) is 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol is CCCCN(CCO)Cc1nncn1C.
What is the InChIKey of 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
The InChIKey is LBEHZZUXNLUTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-4-5-14(6-7-15)8-10-12-11-9-13(10)2/h9,15H,3-8H2,1-2H3.
What are the key properties of 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol?
2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol has a molecular weight of 212.30 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 78990642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).