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

C12H22N4 — CID 79860024

IUPAC5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(n2nc(C)nc2C)CCC1(C)C
InChIInChI=1S/C12H22N4/c1-8-14-9(2)16(15-8)10-6-7-12(3,4)11(10)13-5/h10-11,13H,6-7H2,1-5H3
InChIKeyUEPVXNPQMHUMGV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.84
Rot. Bonds2

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

5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79860024) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79860024
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(n2nc(C)nc2C)CCC1(C)C
InChIInChI=1S/C12H22N4/c1-8-14-9(2)16(15-8)10-6-7-12(3,4)11(10)13-5/h10-11,13H,6-7H2,1-5H3
InChIKeyUEPVXNPQMHUMGV-UHFFFAOYSA-N
XLogP1.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine (CID 79860024) is 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine is CNC1C(n2nc(C)nc2C)CCC1(C)C.
What is the InChIKey of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is UEPVXNPQMHUMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8-14-9(2)16(15-8)10-6-7-12(3,4)11(10)13-5/h10-11,13H,6-7H2,1-5H3.
What are the key properties of 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine?
5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79860024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).