4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one

C12H11N5O2 — CID 64524021

IUPAC4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESNc1cc(C(=O)N2CC(=O)Nc3ccccc32)[nH]n1
InChIInChI=1S/C12H11N5O2/c13-10-5-8(15-16-10)12(19)17-6-11(18)14-7-3-1-2-4-9(7)17/h1-5H,6H2,(H,14,18)(H3,13,15,16)
InChIKeyWLRDYBXWRPGKQG-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.59
Rot. Bonds1

About 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 64524021) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID64524021
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESNc1cc(C(=O)N2CC(=O)Nc3ccccc32)[nH]n1
InChIInChI=1S/C12H11N5O2/c13-10-5-8(15-16-10)12(19)17-6-11(18)14-7-3-1-2-4-9(7)17/h1-5H,6H2,(H,14,18)(H3,13,15,16)
InChIKeyWLRDYBXWRPGKQG-UHFFFAOYSA-N
XLogP0.59
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 64524021) is 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is Nc1cc(C(=O)N2CC(=O)Nc3ccccc32)[nH]n1.
What is the InChIKey of 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is WLRDYBXWRPGKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c13-10-5-8(15-16-10)12(19)17-6-11(18)14-7-3-1-2-4-9(7)17/h1-5H,6H2,(H,14,18)(H3,13,15,16).
What are the key properties of 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 257.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 64524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).