3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium

C10H11N4O2Y- — CID 58936130

IUPAC3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium
SMILES[NH-]C(=O)CCNc1ccc2c(=O)[nH][nH]c2c1.[Y]
InChIInChI=1S/C10H12N4O2.Y/c11-9(15)3-4-12-6-1-2-7-8(5-6)13-14-10(7)16;/h1-2,5H,3-4H2,(H5,11,12,13,14,15,16);/p-1
InChIKeyLHBWHNLZFWYNQN-UHFFFAOYSA-M
MW308.13 g/mol
LogP1.23
Rot. Bonds4

About 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium

3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium (PubChem CID 58936130) has the molecular formula C10H11N4O2Y- and a molecular weight of 308.13 g/mol. Its IUPAC name is 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium.

Molecular Properties

Compound Name3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium
PubChem CID58936130
Molecular FormulaC10H11N4O2Y-
Molecular Weight308.13 g/mol
Exact Mass307.99
IUPAC Name3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium
SMILES[NH-]C(=O)CCNc1ccc2c(=O)[nH][nH]c2c1.[Y]
InChIInChI=1S/C10H12N4O2.Y/c11-9(15)3-4-12-6-1-2-7-8(5-6)13-14-10(7)16;/h1-2,5H,3-4H2,(H5,11,12,13,14,15,16);/p-1
InChIKeyLHBWHNLZFWYNQN-UHFFFAOYSA-M
XLogP1.23
TPSA101.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium?
The IUPAC name of 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium (CID 58936130) is 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium.
What is the SMILES notation for 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium?
The canonical SMILES for 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium is [NH-]C(=O)CCNc1ccc2c(=O)[nH][nH]c2c1.[Y].
What is the InChIKey of 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium?
The InChIKey is LHBWHNLZFWYNQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N4O2.Y/c11-9(15)3-4-12-6-1-2-7-8(5-6)13-14-10(7)16;/h1-2,5H,3-4H2,(H5,11,12,13,14,15,16);/p-1.
What are the key properties of 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium?
3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium has a molecular weight of 308.13 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium is sourced from PubChem (CID 58936130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).