N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C16H18N6O3 — CID 91793548

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1
InChIInChI=1S/C16H18N6O3/c1-9-18-10(2)22(21-9)7-3-6-17-14(23)11-4-5-12-13(8-11)20-16(25)15(24)19-12/h4-5,8H,3,6-7H2,1-2H3,(H,17,23)(H,19,24)(H,20,25)
InChIKeyREPAKWQLRHQFIH-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.24
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 91793548) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID91793548
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1
InChIInChI=1S/C16H18N6O3/c1-9-18-10(2)22(21-9)7-3-6-17-14(23)11-4-5-12-13(8-11)20-16(25)15(24)19-12/h4-5,8H,3,6-7H2,1-2H3,(H,17,23)(H,19,24)(H,20,25)
InChIKeyREPAKWQLRHQFIH-UHFFFAOYSA-N
XLogP0.24
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide with MolForge

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Related Compounds

3,5-dichloro-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzamide
CID 72896651
3-(azepan-1-ylmethyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide
CID 118792731
N-[3-(1-methylpyrazol-4-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91770397
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-fluoro-2-hydroxybenzamide
CID 91777209
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131943793
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 72911944
2-cyclohexyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 72859517
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 56901368
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91759660
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702804
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 91793548) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is Cc1nc(C)n(CCCNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is REPAKWQLRHQFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-9-18-10(2)22(21-9)7-3-6-17-14(23)11-4-5-12-13(8-11)20-16(25)15(24)19-12/h4-5,8H,3,6-7H2,1-2H3,(H,17,23)(H,19,24)(H,20,25).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 91793548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).