2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol

C14H26N4O — CID 86797421

IUPAC2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
SMILESCCN(Cc1nnc(C2CCC2)n1C)C(C)(C)CO
InChIInChI=1S/C14H26N4O/c1-5-18(14(2,3)10-19)9-12-15-16-13(17(12)4)11-7-6-8-11/h11,19H,5-10H2,1-4H3
InChIKeyIPRXSBHNZDMWHE-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.68
Rot. Bonds6

About 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol

2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol (PubChem CID 86797421) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
PubChem CID86797421
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
SMILESCCN(Cc1nnc(C2CCC2)n1C)C(C)(C)CO
InChIInChI=1S/C14H26N4O/c1-5-18(14(2,3)10-19)9-12-15-16-13(17(12)4)11-7-6-8-11/h11,19H,5-10H2,1-4H3
InChIKeyIPRXSBHNZDMWHE-UHFFFAOYSA-N
XLogP1.68
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol (CID 86797421) is 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol is CCN(Cc1nnc(C2CCC2)n1C)C(C)(C)CO.
What is the InChIKey of 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol?
The InChIKey is IPRXSBHNZDMWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-18(14(2,3)10-19)9-12-15-16-13(17(12)4)11-7-6-8-11/h11,19H,5-10H2,1-4H3.
What are the key properties of 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol?
2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 86797421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).