lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate

C8H7LiN4O2 — CID 170974124

IUPAClithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate
SMILESCn1ccc(-c2nc([O-])cc(=O)[nH]2)n1.[Li+]
InChIInChI=1S/C8H8N4O2.Li/c1-12-3-2-5(11-12)8-9-6(13)4-7(14)10-8;/h2-4H,1H3,(H2,9,10,13,14);/q;+1/p-1
InChIKeyFCCIBVRJKABANI-UHFFFAOYSA-M
MW198.11 g/mol
LogP-3.75
Rot. Bonds1

About lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate

lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate (PubChem CID 170974124) has the molecular formula C8H7LiN4O2 and a molecular weight of 198.11 g/mol. Its IUPAC name is lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate.

Molecular Properties

Compound Namelithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate
PubChem CID170974124
Molecular FormulaC8H7LiN4O2
Molecular Weight198.11 g/mol
Exact Mass198.07
IUPAC Namelithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate
SMILESCn1ccc(-c2nc([O-])cc(=O)[nH]2)n1.[Li+]
InChIInChI=1S/C8H8N4O2.Li/c1-12-3-2-5(11-12)8-9-6(13)4-7(14)10-8;/h2-4H,1H3,(H2,9,10,13,14);/q;+1/p-1
InChIKeyFCCIBVRJKABANI-UHFFFAOYSA-M
XLogP-3.75
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 5-3.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate?
The IUPAC name of lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate (CID 170974124) is lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate.
What is the SMILES notation for lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate?
The canonical SMILES for lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate is Cn1ccc(-c2nc([O-])cc(=O)[nH]2)n1.[Li+].
What is the InChIKey of lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate?
The InChIKey is FCCIBVRJKABANI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N4O2.Li/c1-12-3-2-5(11-12)8-9-6(13)4-7(14)10-8;/h2-4H,1H3,(H2,9,10,13,14);/q;+1/p-1.
What are the key properties of lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate?
lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate has a molecular weight of 198.11 g/mol, XLogP of -3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(1-methylpyrazol-3-yl)-6-oxo-1H-pyrimidin-4-olate is sourced from PubChem (CID 170974124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).