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

C13H26N4O — CID 114357773

IUPAC3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol
SMILESCCc1nc(CC)n(C(CO)C(N)C(C)(C)C)n1
InChIInChI=1S/C13H26N4O/c1-6-10-15-11(7-2)17(16-10)9(8-18)12(14)13(3,4)5/h9,12,18H,6-8,14H2,1-5H3
InChIKeyOEQOVECGNJMPEW-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.31
Rot. Bonds5

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

3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol (PubChem CID 114357773) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol
PubChem CID114357773
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol
SMILESCCc1nc(CC)n(C(CO)C(N)C(C)(C)C)n1
InChIInChI=1S/C13H26N4O/c1-6-10-15-11(7-2)17(16-10)9(8-18)12(14)13(3,4)5/h9,12,18H,6-8,14H2,1-5H3
InChIKeyOEQOVECGNJMPEW-UHFFFAOYSA-N
XLogP1.31
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol (CID 114357773) is 3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol is CCc1nc(CC)n(C(CO)C(N)C(C)(C)C)n1.
What is the InChIKey of 3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is OEQOVECGNJMPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-10-15-11(7-2)17(16-10)9(8-18)12(14)13(3,4)5/h9,12,18H,6-8,14H2,1-5H3.
What are the key properties of 3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol?
3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114357773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).