CID 58044780

C6H8N3O2 — CID 58044780

IUPAC—
SMILES[NH]CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H8N3O2/c7-3-4-9-6(11)2-1-5(10)8-9/h1-2,7H,3-4H2,(H,8,10)
InChIKeyMUDUVORPGCREDO-UHFFFAOYSA-N
MW154.15 g/mol
LogP-1.18
Rot. Bonds2

About CID 58044780

CID 58044780 (PubChem CID 58044780) has the molecular formula C6H8N3O2 and a molecular weight of 154.15 g/mol.

Molecular Properties

Compound NameCID 58044780
PubChem CID58044780
Molecular FormulaC6H8N3O2
Molecular Weight154.15 g/mol
Exact Mass154.06
IUPAC Name—
SMILES[NH]CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C6H8N3O2/c7-3-4-9-6(11)2-1-5(10)8-9/h1-2,7H,3-4H2,(H,8,10)
InChIKeyMUDUVORPGCREDO-UHFFFAOYSA-N
XLogP-1.18
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Butyl-1,2-dihydro-3,6-pyridazinedione
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1-(2-Bromoethyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 24688547
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione
CID 138715541
Bis(aminoethylamino) ethyl maleamide
CID 129826976
Einecs 253-082-7
CID 21278031
2-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-pyridazine-3,6-dione
CID 43752784
2-(2-Carbamoylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 597095
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925

Frequently Asked Questions

What is the IUPAC name of CID 58044780?
The IUPAC name of CID 58044780 (CID 58044780) is not available.
What is the SMILES notation for CID 58044780?
The canonical SMILES for CID 58044780 is [NH]CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of CID 58044780?
The InChIKey is MUDUVORPGCREDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3O2/c7-3-4-9-6(11)2-1-5(10)8-9/h1-2,7H,3-4H2,(H,8,10).
What are the key properties of CID 58044780?
CID 58044780 has a molecular weight of 154.15 g/mol, XLogP of -1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58044780 is sourced from PubChem (CID 58044780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).