3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium

C6H8N3Y- — CID 59802451

IUPAC3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium
SMILESCc1[c-]cc(N)nc1N.[Y]
InChIInChI=1S/C6H8N3.Y/c1-4-2-3-5(7)9-6(4)8;/h3H,1H3,(H4,7,8,9);/q-1;
InChIKeyVKLBRKIVFZCWOW-UHFFFAOYSA-N
MW211.06 g/mol
LogP0.35
Rot. Bonds

About 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium

3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium (PubChem CID 59802451) has the molecular formula C6H8N3Y- and a molecular weight of 211.06 g/mol. Its IUPAC name is 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium.

Molecular Properties

Compound Name3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium
PubChem CID59802451
Molecular FormulaC6H8N3Y-
Molecular Weight211.06 g/mol
Exact Mass210.98
IUPAC Name3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium
SMILESCc1[c-]cc(N)nc1N.[Y]
InChIInChI=1S/C6H8N3.Y/c1-4-2-3-5(7)9-6(4)8;/h3H,1H3,(H4,7,8,9);/q-1;
InChIKeyVKLBRKIVFZCWOW-UHFFFAOYSA-N
XLogP0.35
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium?
The IUPAC name of 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium (CID 59802451) is 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium.
What is the SMILES notation for 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium?
The canonical SMILES for 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium is Cc1[c-]cc(N)nc1N.[Y].
What is the InChIKey of 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium?
The InChIKey is VKLBRKIVFZCWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3.Y/c1-4-2-3-5(7)9-6(4)8;/h3H,1H3,(H4,7,8,9);/q-1;.
What are the key properties of 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium?
3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium has a molecular weight of 211.06 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-pyridin-4-ide-2,6-diamine;yttrium is sourced from PubChem (CID 59802451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).