1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine

C10H18N4 — CID 147137727

IUPAC1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine
SMILESCCC1(N)CC(CCn2ccnn2)C1
InChIInChI=1S/C10H18N4/c1-2-10(11)7-9(8-10)3-5-14-6-4-12-13-14/h4,6,9H,2-3,5,7-8,11H2,1H3
InChIKeyBRMPKLCKIFRASX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.19
Rot. Bonds4

About 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine

1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine (PubChem CID 147137727) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine
PubChem CID147137727
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine
SMILESCCC1(N)CC(CCn2ccnn2)C1
InChIInChI=1S/C10H18N4/c1-2-10(11)7-9(8-10)3-5-14-6-4-12-13-14/h4,6,9H,2-3,5,7-8,11H2,1H3
InChIKeyBRMPKLCKIFRASX-UHFFFAOYSA-N
XLogP1.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine (CID 147137727) is 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine is CCC1(N)CC(CCn2ccnn2)C1.
What is the InChIKey of 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine?
The InChIKey is BRMPKLCKIFRASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-10(11)7-9(8-10)3-5-14-6-4-12-13-14/h4,6,9H,2-3,5,7-8,11H2,1H3.
What are the key properties of 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine?
1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(triazol-1-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 147137727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).