2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine

C14H18N4 — CID 55182307

IUPAC2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESNCCc1nc(C2(c3ccccc3)CCC2)n[nH]1
InChIInChI=1S/C14H18N4/c15-10-7-12-16-13(18-17-12)14(8-4-9-14)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2,(H,16,17,18)
InChIKeySXMVVFFVRMNNAE-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.78
Rot. Bonds4

About 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine

2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 55182307) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID55182307
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESNCCc1nc(C2(c3ccccc3)CCC2)n[nH]1
InChIInChI=1S/C14H18N4/c15-10-7-12-16-13(18-17-12)14(8-4-9-14)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2,(H,16,17,18)
InChIKeySXMVVFFVRMNNAE-UHFFFAOYSA-N
XLogP1.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 55182307) is 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine is NCCc1nc(C2(c3ccccc3)CCC2)n[nH]1.
What is the InChIKey of 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is SXMVVFFVRMNNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-10-7-12-16-13(18-17-12)14(8-4-9-14)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2,(H,16,17,18).
What are the key properties of 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 242.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 55182307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).