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

C11H22N4 — CID 65285260

IUPAC5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine
SMILESCc1nnc(CCC(C)(C)CCN)n1C
InChIInChI=1S/C11H22N4/c1-9-13-14-10(15(9)4)5-6-11(2,3)7-8-12/h5-8,12H2,1-4H3
InChIKeyLTGOZXKAWUIRPR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds5

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

5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine (PubChem CID 65285260) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine
PubChem CID65285260
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine
SMILESCc1nnc(CCC(C)(C)CCN)n1C
InChIInChI=1S/C11H22N4/c1-9-13-14-10(15(9)4)5-6-11(2,3)7-8-12/h5-8,12H2,1-4H3
InChIKeyLTGOZXKAWUIRPR-UHFFFAOYSA-N
XLogP1.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine (CID 65285260) is 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine is Cc1nnc(CCC(C)(C)CCN)n1C.
What is the InChIKey of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine?
The InChIKey is LTGOZXKAWUIRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9-13-14-10(15(9)4)5-6-11(2,3)7-8-12/h5-8,12H2,1-4H3.
What are the key properties of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine?
5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65285260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).