[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium

C7H11N4OY- — CID 156868647

IUPAC[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium
SMILES[NH-]CC1(Cn2cncn2)COC1.[Y]
InChIInChI=1S/C7H11N4O.Y/c8-1-7(3-12-4-7)2-11-6-9-5-10-11;/h5-6,8H,1-4H2;/q-1;
InChIKeyWNZZCUFFIHEYRC-UHFFFAOYSA-N
MW256.10 g/mol
LogP0.34
Rot. Bonds3

About [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium

[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium (PubChem CID 156868647) has the molecular formula C7H11N4OY- and a molecular weight of 256.10 g/mol. Its IUPAC name is [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium.

Molecular Properties

Compound Name[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium
PubChem CID156868647
Molecular FormulaC7H11N4OY-
Molecular Weight256.10 g/mol
Exact Mass256.00
IUPAC Name[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium
SMILES[NH-]CC1(Cn2cncn2)COC1.[Y]
InChIInChI=1S/C7H11N4O.Y/c8-1-7(3-12-4-7)2-11-6-9-5-10-11;/h5-6,8H,1-4H2;/q-1;
InChIKeyWNZZCUFFIHEYRC-UHFFFAOYSA-N
XLogP0.34
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium?
The IUPAC name of [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium (CID 156868647) is [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium.
What is the SMILES notation for [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium?
The canonical SMILES for [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium is [NH-]CC1(Cn2cncn2)COC1.[Y].
What is the InChIKey of [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium?
The InChIKey is WNZZCUFFIHEYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N4O.Y/c8-1-7(3-12-4-7)2-11-6-9-5-10-11;/h5-6,8H,1-4H2;/q-1;.
What are the key properties of [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium?
[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium has a molecular weight of 256.10 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methylazanide;yttrium is sourced from PubChem (CID 156868647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).