2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine

C8H15N5 — CID 57070819

IUPAC2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine
SMILESCCC1NCC(n2ccnn2)C1N
InChIInChI=1S/C8H15N5/c1-2-6-8(9)7(5-10-6)13-4-3-11-12-13/h3-4,6-8,10H,2,5,9H2,1H3
InChIKeyIRJZUZIRBHTVTF-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.47
Rot. Bonds2

About 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine

2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine (PubChem CID 57070819) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine
PubChem CID57070819
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine
SMILESCCC1NCC(n2ccnn2)C1N
InChIInChI=1S/C8H15N5/c1-2-6-8(9)7(5-10-6)13-4-3-11-12-13/h3-4,6-8,10H,2,5,9H2,1H3
InChIKeyIRJZUZIRBHTVTF-UHFFFAOYSA-N
XLogP-0.47
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-1,2,3-Triazol-1-yl)piperidine
CID 19005928
4-(1H-1,2,3-Triazol-1-YL)piperidine
CID 19006019
1-[(2S)-Pyrrolidin-2-ylmethyl]-1H-1,2,3-triazole
CID 98042436
1-(Pyrrolidin-3-YL)-1H-1,2,3-triazole
CID 15228837
1-[(pyrrolidin-3-yl)methyl]-1H-1,2,3-triazole
CID 84020861
4-(1H-1,2,3-triazol-1-yl)azepane
CID 89410044
4-(1H-1,2,3-triazol-1-yl)piperidine dihydrochloride
CID 71756844
2-((1H-1,2,3-triazol-1-yl)methyl)piperidine dihydrochloride
CID 71757902
1-(pyrrolidin-3-yl)-1H-1,2,3-triazole dihydrochloride
CID 112758024
4-(1H-1,2,3-triazol-1-yl)azepane dihydrochloride
CID 122155570
rac-(3R,4S)-N,N-dimethyl-4-(1H-1,2,3-triazol-1-yl)pyrrolidin-3-amine trihydrochloride
CID 137833665
4-(1H-1,2,3-triazol-1-yl)cyclohexan-1-amine dihydrochloride
CID 165871785

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine?
The IUPAC name of 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine (CID 57070819) is 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine.
What is the SMILES notation for 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine?
The canonical SMILES for 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine is CCC1NCC(n2ccnn2)C1N.
What is the InChIKey of 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine?
The InChIKey is IRJZUZIRBHTVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-2-6-8(9)7(5-10-6)13-4-3-11-12-13/h3-4,6-8,10H,2,5,9H2,1H3.
What are the key properties of 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine?
2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine has a molecular weight of 181.24 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(triazol-1-yl)pyrrolidin-3-amine is sourced from PubChem (CID 57070819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).