6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione

C10H17N5O3 — CID 55205789

IUPAC6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCCN(CCO)CC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3/c16-7-6-14-2-1-3-15(5-4-14)8-9(17)11-10(18)13-12-8/h16H,1-7H2,(H2,11,13,17,18)
InChIKeyFACQCNPYGLLJIB-UHFFFAOYSA-N
MW255.28 g/mol
LogP-2.04
Rot. Bonds3

About 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione

6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 55205789) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID55205789
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCCN(CCO)CC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3/c16-7-6-14-2-1-3-15(5-4-14)8-9(17)11-10(18)13-12-8/h16H,1-7H2,(H2,11,13,17,18)
InChIKeyFACQCNPYGLLJIB-UHFFFAOYSA-N
XLogP-2.04
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-[(3S)-3-hydroxypiperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 107225532
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 115650168
2-[4-(4-chloro-1,2,5-thiadiazol-3-yl)-1,4-diazepan-1-yl]ethanol
CID 107224074
5-bromo-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 107223341
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-isoquinolin-1-one
CID 63310153
2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
CID 70808244
1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one
CID 63309606
6-[4-(4-aminophenyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 60875687
2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137446
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid
CID 55165311
2-[4-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 103580213
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-4-methylpyridine-3-carbothioamide
CID 107223114

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 55205789) is 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CCCN(CCO)CC2)c(=O)[nH]1.
What is the InChIKey of 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FACQCNPYGLLJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c16-7-6-14-2-1-3-15(5-4-14)8-9(17)11-10(18)13-12-8/h16H,1-7H2,(H2,11,13,17,18).
What are the key properties of 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 255.28 g/mol, XLogP of -2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55205789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).