N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide

C18H20N6O2 — CID 91768725

IUPACN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C18H20N6O2/c1-2-24-15(10-25)22-23-17(24)11-8-12(9-11)21-18(26)13-4-3-5-14-16(13)20-7-6-19-14/h3-7,11-12,25H,2,8-10H2,1H3,(H,21,26)
InChIKeyBZWGTSODQUPHMG-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.41
Rot. Bonds5

About N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide (PubChem CID 91768725) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
PubChem CID91768725
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C18H20N6O2/c1-2-24-15(10-25)22-23-17(24)11-8-12(9-11)21-18(26)13-4-3-5-14-16(13)20-7-6-19-14/h3-7,11-12,25H,2,8-10H2,1H3,(H,21,26)
InChIKeyBZWGTSODQUPHMG-UHFFFAOYSA-N
XLogP1.41
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 91770458
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide
CID 91796910
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-methyl-1-benzofuran-5-carboxamide
CID 91785541
2-[4-(dimethylamino)phenyl]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91783484
3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 104614148
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91790584
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 91762851
4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91774265
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,6-dimethylpyridine-3-carboxamide
CID 91790714
[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396745
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
2-amino-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpyrimidine-5-carboxamide
CID 91780193

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide (CID 91768725) is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide is CCn1c(CO)nnc1C1CC(NC(=O)c2cccc3nccnc23)C1.
What is the InChIKey of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
The InChIKey is BZWGTSODQUPHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-2-24-15(10-25)22-23-17(24)11-8-12(9-11)21-18(26)13-4-3-5-14-16(13)20-7-6-19-14/h3-7,11-12,25H,2,8-10H2,1H3,(H,21,26).
What are the key properties of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 91768725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).