N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C17H24N6O5 — CID 91786905

IUPACN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C17H24N6O5/c1-21-12(8-14(25)22(2)17(21)27)16(26)18-11-6-10(7-11)15-20-19-13(9-24)23(15)4-5-28-3/h8,10-11,24H,4-7,9H2,1-3H3,(H,18,26)
InChIKeyLGJIDINITPGCNM-UHFFFAOYSA-N
MW392.42 g/mol
LogP-1.51
Rot. Bonds7

About N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 91786905) has the molecular formula C17H24N6O5 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID91786905
Molecular FormulaC17H24N6O5
Molecular Weight392.42 g/mol
Exact Mass392.18
IUPAC NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C17H24N6O5/c1-21-12(8-14(25)22(2)17(21)27)16(26)18-11-6-10(7-11)15-20-19-13(9-24)23(15)4-5-28-3/h8,10-11,24H,4-7,9H2,1-3H3,(H,18,26)
InChIKeyLGJIDINITPGCNM-UHFFFAOYSA-N
XLogP-1.51
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide
CID 91760457
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-methoxy-4-methylbenzamide
CID 91794193
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
CID 91780129
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,6-dimethylpyridine-3-carboxamide
CID 91790714
5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 91785731
2-amino-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpyrimidine-5-carboxamide
CID 91780193
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 91791621
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
CID 91789799
[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol
CID 91781965
[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
CID 114827237
1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide
CID 72933861

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 91786905) is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is COCCn1c(CO)nnc1C1CC(NC(=O)c2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is LGJIDINITPGCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O5/c1-21-12(8-14(25)22(2)17(21)27)16(26)18-11-6-10(7-11)15-20-19-13(9-24)23(15)4-5-28-3/h8,10-11,24H,4-7,9H2,1-3H3,(H,18,26).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of -1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 91786905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).