5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine

C13H26N4 — CID 114282225

IUPAC5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C(C(C)C)C(C)C)n1CC
InChIInChI=1S/C13H26N4/c1-7-14-13-16-15-12(17(13)8-2)11(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3,(H,14,16)
InChIKeyGNOFKYXTIREIDT-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.13
Rot. Bonds6

About 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine

5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 114282225) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID114282225
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C(C(C)C)C(C)C)n1CC
InChIInChI=1S/C13H26N4/c1-7-14-13-16-15-12(17(13)8-2)11(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3,(H,14,16)
InChIKeyGNOFKYXTIREIDT-UHFFFAOYSA-N
XLogP3.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine (CID 114282225) is 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(C(C(C)C)C(C)C)n1CC.
What is the InChIKey of 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is GNOFKYXTIREIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-7-14-13-16-15-12(17(13)8-2)11(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3,(H,14,16).
What are the key properties of 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 238.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 114282225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).