2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol

C13H26N4O — CID 106810114

IUPAC2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol
SMILESCCc1nc(CC)n(CCCC(N)(CC)CO)n1
InChIInChI=1S/C13H26N4O/c1-4-11-15-12(5-2)17(16-11)9-7-8-13(14,6-3)10-18/h18H,4-10,14H2,1-3H3
InChIKeyZUQOLYZBAYNVPU-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.28
Rot. Bonds8

About 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol

2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol (PubChem CID 106810114) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol
PubChem CID106810114
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol
SMILESCCc1nc(CC)n(CCCC(N)(CC)CO)n1
InChIInChI=1S/C13H26N4O/c1-4-11-15-12(5-2)17(16-11)9-7-8-13(14,6-3)10-18/h18H,4-10,14H2,1-3H3
InChIKeyZUQOLYZBAYNVPU-UHFFFAOYSA-N
XLogP1.28
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol?
The IUPAC name of 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol (CID 106810114) is 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol?
The canonical SMILES for 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol is CCc1nc(CC)n(CCCC(N)(CC)CO)n1.
What is the InChIKey of 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol?
The InChIKey is ZUQOLYZBAYNVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-11-15-12(5-2)17(16-11)9-7-8-13(14,6-3)10-18/h18H,4-10,14H2,1-3H3.
What are the key properties of 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol?
2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol is sourced from PubChem (CID 106810114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).