N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine

C12H23N5 — CID 62427490

IUPACN-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCC(C)C2)nn1
InChIInChI=1S/C12H23N5/c1-3-13-8-12-10-17(15-14-12)7-6-16-5-4-11(2)9-16/h10-11,13H,3-9H2,1-2H3
InChIKeyZVXPHYPJOBVAOD-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.73
Rot. Bonds6

About N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine

N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 62427490) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID62427490
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCC(C)C2)nn1
InChIInChI=1S/C12H23N5/c1-3-13-8-12-10-17(15-14-12)7-6-16-5-4-11(2)9-16/h10-11,13H,3-9H2,1-2H3
InChIKeyZVXPHYPJOBVAOD-UHFFFAOYSA-N
XLogP0.73
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (CID 62427490) is N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCN2CCC(C)C2)nn1.
What is the InChIKey of N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is ZVXPHYPJOBVAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-13-8-12-10-17(15-14-12)7-6-16-5-4-11(2)9-16/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62427490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).