molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate

C16H29N5O3 — CID 143885734

IUPACmolecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1nnnc1C1(N2CCOCC2)CCCCCC1.[H][H]
InChIInChI=1S/C16H27N5O3.H2/c1-14(22)24-13-10-21-15(17-18-19-21)16(6-4-2-3-5-7-16)20-8-11-23-12-9-20;/h2-13H2,1H3;1H
InChIKeyUHJHQPCFGVGOSQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.36
Rot. Bonds5

About molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate

molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate (PubChem CID 143885734) has the molecular formula C16H29N5O3 and a molecular weight of 339.44 g/mol. Its IUPAC name is molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate.

Molecular Properties

Compound Namemolecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate
PubChem CID143885734
Molecular FormulaC16H29N5O3
Molecular Weight339.44 g/mol
Exact Mass339.23
IUPAC Namemolecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1nnnc1C1(N2CCOCC2)CCCCCC1.[H][H]
InChIInChI=1S/C16H27N5O3.H2/c1-14(22)24-13-10-21-15(17-18-19-21)16(6-4-2-3-5-7-16)20-8-11-23-12-9-20;/h2-13H2,1H3;1H
InChIKeyUHJHQPCFGVGOSQ-UHFFFAOYSA-N
XLogP1.36
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate?
The IUPAC name of molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate (CID 143885734) is molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate.
What is the SMILES notation for molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate?
The canonical SMILES for molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate is CC(=O)OCCn1nnnc1C1(N2CCOCC2)CCCCCC1.[H][H].
What is the InChIKey of molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate?
The InChIKey is UHJHQPCFGVGOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3.H2/c1-14(22)24-13-10-21-15(17-18-19-21)16(6-4-2-3-5-7-16)20-8-11-23-12-9-20;/h2-13H2,1H3;1H.
What are the key properties of molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate?
molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate has a molecular weight of 339.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-[5-(1-morpholin-4-ylcycloheptyl)tetrazol-1-yl]ethyl acetate is sourced from PubChem (CID 143885734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).