N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine

C12H22N4 — CID 61338734

IUPACN-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C12H22N4/c1-9(2)13-8-7-11-14-12(16-15-11)10-5-3-4-6-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyTVHQOTKRZQKHOT-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.00
Rot. Bonds5

About N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine

N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine (PubChem CID 61338734) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
PubChem CID61338734
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C12H22N4/c1-9(2)13-8-7-11-14-12(16-15-11)10-5-3-4-6-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyTVHQOTKRZQKHOT-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 N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine (CID 61338734) is N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine is CC(C)NCCc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The InChIKey is TVHQOTKRZQKHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)13-8-7-11-14-12(16-15-11)10-5-3-4-6-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-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 N-[2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 61338734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).