5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole

C10H18N4 — CID 67734782

IUPAC5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole
SMILESCCN1CC(c2ncnn2C(C)C)C1
InChIInChI=1S/C10H18N4/c1-4-13-5-9(6-13)10-11-7-12-14(10)8(2)3/h7-9H,4-6H2,1-3H3
InChIKeyXSRRZKWGDXLCAX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.28
Rot. Bonds3

About 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole

5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 67734782) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole
PubChem CID67734782
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole
SMILESCCN1CC(c2ncnn2C(C)C)C1
InChIInChI=1S/C10H18N4/c1-4-13-5-9(6-13)10-11-7-12-14(10)8(2)3/h7-9H,4-6H2,1-3H3
InChIKeyXSRRZKWGDXLCAX-UHFFFAOYSA-N
XLogP1.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole (CID 67734782) is 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole is CCN1CC(c2ncnn2C(C)C)C1.
What is the InChIKey of 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is XSRRZKWGDXLCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-13-5-9(6-13)10-11-7-12-14(10)8(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole?
5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 194.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylazetidin-3-yl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 67734782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).