2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate

C16H24N2O3V — CID 142364939

IUPAC2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate
SMILESCC(C)C#Cc1cnc(OC2CC(OC(C)C)C2)cn1.O.[V]
InChIInChI=1S/C16H22N2O2.H2O.V/c1-11(2)5-6-13-9-18-16(10-17-13)20-15-7-14(8-15)19-12(3)4;;/h9-12,14-15H,7-8H2,1-4H3;1H2;
InChIKeyKIRLDMCSANGIJK-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.99
Rot. Bonds4

About 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate

2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate (PubChem CID 142364939) has the molecular formula C16H24N2O3V and a molecular weight of 343.32 g/mol. Its IUPAC name is 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate.

Molecular Properties

Compound Name2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate
PubChem CID142364939
Molecular FormulaC16H24N2O3V
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC Name2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate
SMILESCC(C)C#Cc1cnc(OC2CC(OC(C)C)C2)cn1.O.[V]
InChIInChI=1S/C16H22N2O2.H2O.V/c1-11(2)5-6-13-9-18-16(10-17-13)20-15-7-14(8-15)19-12(3)4;;/h9-12,14-15H,7-8H2,1-4H3;1H2;
InChIKeyKIRLDMCSANGIJK-UHFFFAOYSA-N
XLogP1.99
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(oxetan-3-yloxy)pyrazine-2-carbonitrile
CID 102606284
ethane;2-(3-methoxycyclobutyl)oxy-5-[3,3,5,5-tetramethyl-6-(1-methylazetidin-3-yl)oxyhex-1-ynyl]pyrazine;methoxymethane;prop-1-ene
CID 142368868
2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine
CID 177013978
2-[5-(2,2-dimethylpropoxy)-3,4,4-trimethylpent-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 146180102
ethane;2-methoxy-5-methylpyrazine;5-methylpyrazine-2-carbonitrile
CID 142379097
2-(5-methoxypyrazin-2-yl)ethynyl-trimethylsilane
CID 90303128
5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile
CID 135303516
5-cyclopropyloxy-N,N-dimethylpyrazin-2-amine
CID 133061297
cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
1-bromo-3-propan-2-yloxycyclobutane
CID 66344883
2-methyl-5-(3-methylbut-1-ynyl)pyrimidine
CID 135273972
N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381290

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate?
The IUPAC name of 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate (CID 142364939) is 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate.
What is the SMILES notation for 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate?
The canonical SMILES for 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate is CC(C)C#Cc1cnc(OC2CC(OC(C)C)C2)cn1.O.[V].
What is the InChIKey of 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate?
The InChIKey is KIRLDMCSANGIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.H2O.V/c1-11(2)5-6-13-9-18-16(10-17-13)20-15-7-14(8-15)19-12(3)4;;/h9-12,14-15H,7-8H2,1-4H3;1H2;.
What are the key properties of 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate?
2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate has a molecular weight of 343.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-1-ynyl)-5-(3-propan-2-yloxycyclobutyl)oxypyrazine;vanadium;hydrate is sourced from PubChem (CID 142364939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).