6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione

C14H15N5O2 — CID 83090137

IUPAC6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1nn(C)cc1CNc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H15N5O2/c1-8-9(7-19(2)18-8)6-15-10-3-4-11-12(5-10)17-14(21)13(20)16-11/h3-5,7,15H,6H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyDPKRFONEAUBMMB-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.87
Rot. Bonds3

About 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione

6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 83090137) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID83090137
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1nn(C)cc1CNc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H15N5O2/c1-8-9(7-19(2)18-8)6-15-10-3-4-11-12(5-10)17-14(21)13(20)16-11/h3-5,7,15H,6H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyDPKRFONEAUBMMB-UHFFFAOYSA-N
XLogP0.87
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
CID 83088804
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83085930
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide
CID 83086550
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoro-4-nitroaniline
CID 83089738
6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 81307955
2-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112668286
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 83089965
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43644891
2-bromo-4-[(1,3-dimethylpyrazol-4-yl)methylamino]benzenecarbothioamide
CID 107278051
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3H-benzimidazol-5-amine
CID 43791200
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966

Frequently Asked Questions

What is the IUPAC name of 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione (CID 83090137) is 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione is Cc1nn(C)cc1CNc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is DPKRFONEAUBMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-9(7-19(2)18-8)6-15-10-3-4-11-12(5-10)17-14(21)13(20)16-11/h3-5,7,15H,6H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione?
6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 285.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 83090137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).