2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol

C12H24N4O — CID 81412437

IUPAC2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC(C)c1nncn1C
InChIInChI=1S/C12H24N4O/c1-5-12(6-2,8-17)7-13-10(3)11-15-14-9-16(11)4/h9-10,13,17H,5-8H2,1-4H3
InChIKeyMFAZYPXWLDWZFY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.26
Rot. Bonds7

About 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol

2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol (PubChem CID 81412437) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol
PubChem CID81412437
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC(C)c1nncn1C
InChIInChI=1S/C12H24N4O/c1-5-12(6-2,8-17)7-13-10(3)11-15-14-9-16(11)4/h9-10,13,17H,5-8H2,1-4H3
InChIKeyMFAZYPXWLDWZFY-UHFFFAOYSA-N
XLogP1.26
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol (CID 81412437) is 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol is CCC(CC)(CO)CNC(C)c1nncn1C.
What is the InChIKey of 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol?
The InChIKey is MFAZYPXWLDWZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-12(6-2,8-17)7-13-10(3)11-15-14-9-16(11)4/h9-10,13,17H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol?
2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 81412437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).