6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

C14H20N6O4 — CID 132522881

IUPAC6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESc1nnn2c1COC(COCCOCC1Cn3nncc3CO1)C2
InChIInChI=1S/C14H20N6O4/c1(21-9-13-5-19-11(7-23-13)3-15-17-19)2-22-10-14-6-20-12(8-24-14)4-16-18-20/h3-4,13-14H,1-2,5-10H2
InChIKeyFKJGOVICHVSYSW-UHFFFAOYSA-N
MW336.35 g/mol
LogP-0.60
Rot. Bonds7

About 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 132522881) has the molecular formula C14H20N6O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID132522881
Molecular FormulaC14H20N6O4
Molecular Weight336.35 g/mol
Exact Mass336.15
IUPAC Name6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESc1nnn2c1COC(COCCOCC1Cn3nncc3CO1)C2
InChIInChI=1S/C14H20N6O4/c1(21-9-13-5-19-11(7-23-13)3-15-17-19)2-22-10-14-6-20-12(8-24-14)4-16-18-20/h3-4,13-14H,1-2,5-10H2
InChIKeyFKJGOVICHVSYSW-UHFFFAOYSA-N
XLogP-0.60
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

1-[(6S)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-[(3-fluorophenyl)methyl]methanamine
CID 97391317
4-amino-1-[(3R,5R,7S)-4,8-dioxa-1,12,13-triazatricyclo[8.3.0.03,7]trideca-10,12-dien-5-yl]-5-methylpyrimidin-2-one
CID 57413917
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
N-[(3-methyltriazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115682207
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-[2-(oxiran-2-ylmethoxy)ethoxy]-1,3,5-triazine
CID 175338908
7-ethoxy-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 101375966
[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 14419243
tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
CID 23631416
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole
CID 75495099
4-(4,6-dichloropyrimidin-2-yl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 75055499

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 132522881) is 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is c1nnn2c1COC(COCCOCC1Cn3nncc3CO1)C2.
What is the InChIKey of 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is FKJGOVICHVSYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O4/c1(21-9-13-5-19-11(7-23-13)3-15-17-19)2-22-10-14-6-20-12(8-24-14)4-16-18-20/h3-4,13-14H,1-2,5-10H2.
What are the key properties of 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 336.35 g/mol, XLogP of -0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-ylmethoxy)ethoxymethyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 132522881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).