1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine

C12H22N4 — CID 62826440

IUPAC1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C12H22N4/c1-3-13-9(2)8-11-14-12(16-15-11)10-6-4-5-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyUCUPHXLHFNICKW-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.00
Rot. Bonds5

About 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine

1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine (PubChem CID 62826440) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine
PubChem CID62826440
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C12H22N4/c1-3-13-9(2)8-11-14-12(16-15-11)10-6-4-5-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyUCUPHXLHFNICKW-UHFFFAOYSA-N
XLogP2.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine (CID 62826440) is 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine is CCNC(C)Cc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine?
The InChIKey is UCUPHXLHFNICKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-13-9(2)8-11-14-12(16-15-11)10-6-4-5-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine?
1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine has a molecular weight of 222.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 62826440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).