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

C13H24N4 — CID 55111236

IUPACN-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(C2CCCC2)nn1C
InChIInChI=1S/C13H24N4/c1-10(2)14-9-8-12-15-13(16-17(12)3)11-6-4-5-7-11/h10-11,14H,4-9H2,1-3H3
InChIKeyQXTIKBUYGUTTTB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.01
Rot. Bonds5

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

N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (PubChem CID 55111236) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
PubChem CID55111236
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(C2CCCC2)nn1C
InChIInChI=1S/C13H24N4/c1-10(2)14-9-8-12-15-13(16-17(12)3)11-6-4-5-7-11/h10-11,14H,4-9H2,1-3H3
InChIKeyQXTIKBUYGUTTTB-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (CID 55111236) is N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is CC(C)NCCc1nc(C2CCCC2)nn1C.
What is the InChIKey of N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The InChIKey is QXTIKBUYGUTTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)14-9-8-12-15-13(16-17(12)3)11-6-4-5-7-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 55111236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).