CID 5383720

C5H5N2O2 — CID 5383720

IUPAC—
SMILESCn1ccc(=O)nc1[O]
InChIInChI=1S/C5H5N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3
InChIKeyQVHSAFZOWIPDOY-UHFFFAOYSA-N
MW125.11 g/mol
LogP-0.08
Rot. Bonds

About CID 5383720

CID 5383720 (PubChem CID 5383720) has the molecular formula C5H5N2O2 and a molecular weight of 125.11 g/mol.

Molecular Properties

Compound NameCID 5383720
PubChem CID5383720
Molecular FormulaC5H5N2O2
Molecular Weight125.11 g/mol
Exact Mass125.04
IUPAC Name—
SMILESCn1ccc(=O)nc1[O]
InChIInChI=1S/C5H5N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3
InChIKeyQVHSAFZOWIPDOY-UHFFFAOYSA-N
XLogP-0.08
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylpyrimidin-4(3H)-one
CID 301417
1-Methyl-4(1H)-pyrimidinone
CID 292249
2-Amino-1-methyl-1,4-dihydropyrimidin-4-one
CID 55281490
2-Methoxy-3-methyl-4(3H)-pyrimidinone
CID 21577889
2-Methoxy-1-methylpyrimidin-4(1h)-one
CID 21577895
1-Ethylpyrimidin-4-one
CID 426506
4-Hydroxypyrimidine oxide
CID 21259822
2-(Hydroxyamino)-1-methylpyrimidin-4(1H)-one
CID 45087895
1-Ethylpyrimidin-4-one;hydrochloride
CID 24195644
3-methyl-2H-pyrimidin-2-id-4-one;tungsten
CID 58315200
5-Deuterio-1-methylpyrimidin-4-one
CID 59374875
1,2-Dimethylpyrimidin-4-one
CID 59539346

Frequently Asked Questions

What is the IUPAC name of CID 5383720?
The IUPAC name of CID 5383720 (CID 5383720) is not available.
What is the SMILES notation for CID 5383720?
The canonical SMILES for CID 5383720 is Cn1ccc(=O)nc1[O].
What is the InChIKey of CID 5383720?
The InChIKey is QVHSAFZOWIPDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3.
What are the key properties of CID 5383720?
CID 5383720 has a molecular weight of 125.11 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5383720 is sourced from PubChem (CID 5383720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).